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May 16, 2024
Journal Article
Title

Exploring SureChEMBL from a drug discovery perspective

Abstract
In the pharmaceutical industry, the patent protection of drugs and medicines is accorded importance because of the high costs involved in the development of novel drugs. Over the years, researchers have analyzed patent documents to identify freedom-to-operate spaces for novel drug candidates. to assist this, several well-established public patent document data repositories have enabled automated methodologies for extracting information on therapeutic agents. In this study, we delve into one such publicly available patent database, SureChEMBL, which catalogues patent documents related to life sciences. Our exploration begins by identifying patent compounds across public chemical data resources, followed by pinpointing sections in patent documents where the chemical annotations were found. Next, we exhibit the potential of compounds to serve as drug candidates by evaluating their conformity to drug-likeness criteria. Lastly, we examine the drug development stage reported for these compounds to understand their clinical success. In summary, our investigation aims at providing a comprehensive overview of the patent compounds catalogued in SureChEMBL, assessing their relevance to pharmaceutical drug discovery.
Author(s)
Gadiya, Yojana  
Fraunhofer-Institut für Translationale Medizin und Pharmakologie ITMP  
Shetty, Simran
Fraunhofer-Institut für Translationale Medizin und Pharmakologie ITMP  
Hofmann-Apitius, Martin  
Fraunhofer-Institut für Algorithmen und Wissenschaftliches Rechnen SCAI  
Gribbon, Philip  
Fraunhofer-Institut für Translationale Medizin und Pharmakologie ITMP  
Zaliani, Andrea  
Fraunhofer-Institut für Translationale Medizin und Pharmakologie ITMP  
Journal
Scientific data  
Project(s)
Building a Sustainable European Innovation Platform to Enhance the Repurposing of Medicines for All  
Funder
European Commission  
Open Access
File(s)
Download (2.01 MB)
Rights
CC BY 4.0: Creative Commons Attribution
DOI
10.1038/s41597-024-03371-4
10.24406/publica-3074
Additional full text version
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Language
English
Fraunhofer-Institut für Translationale Medizin und Pharmakologie ITMP  
Fraunhofer-Institut für Algorithmen und Wissenschaftliches Rechnen SCAI  
Keyword(s)
  • patent-database

  • drug-discovery

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