SCHEMBL124134

SCHEMBL124134

N#Cc1ccc(C=O)c(S(=O)(=O)CCO)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 2/20 0.47
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CA2 P00918 4/20 0.36
ELANE P08246 4/20 0.36
EPAS1 Q99814 1/20 0.34
TRPV4 Q9HBA0 2/20 0.34
PIN1 Q13526 1/20 0.32
MAPT P10636 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.32
SCN9A Q15858 1/20 0.31
CYP2C19 P33261 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3665502 0.85 RAD51 (0.47) RAD51TRPV4CYP2C19
SCHEMBL123078 0.83 RAD51 (0.50) RAD51ELANETRPV4MAPT
SCHEMBL11615934 0.80 RAD51 (0.53) RAD51CA2TRPV4PIN1
SCHEMBL20997497 0.79 CA2 (0.48) RAD51CYP11B1CYP11B2CA2ELANE
SCHEMBL20997498 0.79 ELANE (0.43) RAD51CYP11B1CYP11B2CA2ELANE
SCHEMBL122510 0.76 RAD51 (0.53) RAD51CA2ELANEEPAS1TRPV4
SCHEMBL123288 0.73 RAD51 (0.49) RAD51TRPV4
SCHEMBL7387829 0.73 RAD51 (0.49) RAD51EPAS1TRPV4
SCHEMBL8972623 0.73 MEN1 (0.43) CA2
SCHEMBL123754 0.72 RAD51 (0.48) RAD51CA2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174997-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-9174997-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-9174997-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-20150045344-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF PH PHARMA CO., LTD. (KR) 2015-02-12 US disclosed
US-20150045344-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF PH PHARMA CO., LTD. (KR) 2015-02-12 US disclosed
US-20150045344-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF PH PHARMA CO., LTD. (KR) 2015-02-12 US disclosed
US-8889700-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-18 US disclosed
US-8889700-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-18 US disclosed
US-8889700-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-18 US disclosed
US-20140045802-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
US-8288402-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-16 US disclosed
US-8288402-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-16 US disclosed
EP-2234985-B1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF Bayer Pharma AG (DE) 2012-03-07 EP disclosed
EP-2234985-B1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF Bayer Pharma AG (DE) 2012-03-07 EP disclosed
US-20110034433-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034433-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034433-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-10 US disclosed
EP-2234985-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-06 EP disclosed
WO-2009080199-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed
WO-2009080199-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140045802-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE TNNI3, TNNT2, PC RAD51 4553/4885CYP11B1 18/4885CYP11B2 8/4885
US-20150045344-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF TNNI3, TNNT2, PC RAD51 4527/4885CYP11B1 19/4885CYP11B2 4/4885
US-20110034433-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE TNNI3, TNNT2, PC RAD51 4553/4885CYP11B1 18/4885CYP11B2 8/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.