SCHEMBL232368

SCHEMBL232368

CN(C)/C=C/c1ccc(C#N)cc1S(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 2/20 0.54
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PIK3CD O00329 3/20 0.35
PIK3CA P42336 3/20 0.35
PIK3CB P42338 3/20 0.35
TRPV4 Q9HBA0 2/20 0.34
P4HB P07237 1/20 0.33
PTGS2 P35354 1/20 0.33
CCNT1 O60563 1/20 0.32
FLT3 P36888 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
PIK3R1 P27986 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
SCN9A Q15858 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
APP P05067 1/20 0.32
CASP3 P42574 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
SCHEMBL121887 1.00 RAD51 (0.54) RAD51CYP11B1CYP11B2PIK3CDPIK3CA
SCHEMBL122510 0.80 RAD51 (0.53) RAD51PIK3CDPIK3CAPIK3CBTRPV4
SCHEMBL170120 0.75 RAD51 (0.37) RAD51CYP11B1CYP11B2P4HBAPP
SCHEMBL2464723 0.75 ALDH1A1 (0.43) RAD51CYP11B1CYP11B2APPCASP3
SCHEMBL2886893 0.75 ALDH1A1 (0.43) RAD51CYP11B1CYP11B2APPCASP3
SCHEMBL395034 0.74 RAD51 (0.36) RAD51APP
SCHEMBL395035 0.74 RAD51 (0.36) RAD51APP
SCHEMBL12653177 0.73 AR (0.43) RAD51APP
SCHEMBL1799897 0.72 VCAM1 (0.51) RAD51PTGS2
SCHEMBL6614751 0.72 VCAM1 (0.51) RAD51PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3271337-B1 PROCESS FOR THE PREPARATION OF (4S)-4-[4-CYANO-2-(METHYLSULFONYL)PHENYL]-3,6-DIMETHYL-2-OXO-1-[3-(TRIFLUORMETHYL)PHENYL]-1,2,3,4-TETRAHYDRO PYRIMIDIN-5-CARBONITRIL PH PHARMA CO LTD (KR) 2021-03-03 EP disclosed
US-10316001-B2 Method for producing (4S)-4-[4-cyano-2-(methylsulfonyl)phenyl]-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrohydro pyrimidine-5-carbonitrile PH PHARMA CO., LTD. (KR) 2019-06-11 US disclosed
US-20180072685-A1 METHOD FOR PRODUCING (4S)-4-[4-CYANO-2-(METHYLSULFONYL)PHENYL]-3,6-DIMETHYL-2-OXO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,3,4-TETRAHYDRO PYRIMIDINE-5-CARBONITRILE pH Pharma, Ltd. (KR) 2018-03-15 US disclosed
US-20180072685-A1 METHOD FOR PRODUCING (4S)-4-[4-CYANO-2-(METHYLSULFONYL)PHENYL]-3,6-DIMETHYL-2-OXO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,3,4-TETRAHYDRO PYRIMIDINE-5-CARBONITRILE pH Pharma, Ltd. (KR) 2018-03-15 US disclosed
WO-2016146607-A1 METHOD FOR PRODUCING (4S)-4-[4-CYANO-2-(METHYLSULFONYL)PHENYL]-3,6-DIMETHYL-2-OXO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,3,4-TETRAHYDRO PYRIMIDINE-5-CARBONITRILE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-22 WO disclosed
US-9359362-B2 Triazolo and tetrazolo pyrimidine derivatives as HNE inhibitors for treating COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-9359362-B2 Triazolo and tetrazolo pyrimidine derivatives as HNE inhibitors for treating COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-9359362-B2 Triazolo and tetrazolo pyrimidine derivatives as HNE inhibitors for treating COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 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-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 US disclosed
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 US disclosed
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 US disclosed
US-20110118221-A1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-19 US disclosed
US-20110118221-A1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-19 US disclosed
US-20110118221-A1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-19 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
WO-2009135599-A1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-12 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 (5 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-20180072685-A1 METHOD FOR PRODUCING (4S)-4-[4-CYANO-2-(METHYLSULFONYL)PHENYL]-3,6-DIMETHYL-2-OXO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,3,4-TETRAHYDRO PYRIMIDINE-5-CARBONITRILE PFAS, CYP2S1, DPYD RAD51 1886/4885CYP11B1 761/4885CYP11B2 974/4885
US-20110118221-A1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE QDPR, DPYD, DPP4 RAD51 3595/4885CYP11B1 101/4885CYP11B2 27/4885
US-10316001-B2 Method for producing (4S)-4-[4-cyano-2-(methylsulfonyl)phenyl]-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrohydro pyrimidine-5-carbonitrile TYMS, TPMT, CTPS1 RAD51 2644/4885CYP11B1 1388/4885CYP11B2 1474/4885
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 RAD51 3032/4885CYP11B1 347/4885CYP11B2 242/4885
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.