SCHEMBL119494

SCHEMBL119494

CS(=O)(Cc1ccc(C(F)(F)F)nc1)=NC#N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.39
CDK9 P50750 9/20 0.39
DAO P14920 2/20 0.37
KCNH2 Q12809 2/20 0.36
MAP4K4 O95819 1/20 0.36
PIK3CA P42336 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ELANE P08246 1/20 0.35
NAMPT P43490 1/20 0.34
PPARD Q03181 1/20 0.34

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
SCHEMBL9610902 0.91 CDK2 (0.37) CDK2CDK9ELANE
SCHEMBL2153112 0.88 CDK2 (0.36) CDK2CDK9
SCHEMBL2152745 0.87 DAO (0.41) DAOKCNH2MAP4K4PIK3CAMINK1
SCHEMBL16622004 0.86 DAO (0.37) CDK2DAOKCNH2MAP4K4PIK3CA
SCHEMBL14740029 0.85 CDK2 (0.37) CDK2CDK9DAOKCNH2MAP4K4
SCHEMBL12464348 0.83 DAO (0.40) DAOKCNH2MAP4K4PIK3CAMINK1
SCHEMBL9610888 0.80 CDK2 (0.39) CDK2CDK9ELANENAMPT
SCHEMBL121954 0.79 ALDH1A1 (0.43) CDK2CDK9
SCHEMBL18231808 0.79 CDK2 (0.36) CDK2CDK9
SCHEMBL2153234 0.78 CDK2 (0.36) CDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2467021-B1 3-[1-(3-HALOALKYL)-TRIAZOLYL]-PHENYL-SULPHIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER IP GMBH (DE) 2015-10-28 EP claimed
US-20150257387-A1 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE AG (DE) 2015-09-17 US claimed
US-8722717-B2 3-triazolylphenyl-substituted sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2014-05-13 US claimed
US-20140051576-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A (THIO)CARBOXAMIDE DERIVATIVE AND AN INSECTICIDAL OR ACARICIDAL OR NEMATICIDAL ACTIVE COMPOUND BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-02-20 US claimed
US-8632767-B2 3-[1-(3-haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-21 US claimed
US-20130296167-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2013-11-07 US claimed
US-20130288990-A1 CONTROLLING PESTS BY COMBINING INSECTICIDES AND TRANSGENIC PLANTS BY APPLYING DIRECTLY TO LEAVES AND ROOTS BAYER CROPSCIENCE AG (DE) 2013-10-31 US claimed
US-20120083463-A1 Insecticidal and Fungicidal Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2012-04-05 US claimed
US-20120027741-A1 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE AG (DE) 2012-02-02 US claimed
EP-2398326-A1 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE Bayer CropScience AG (DE) 2011-12-28 EP claimed
WO-2010149370-A1 COMBINATIONS OF BIOLOGICAL CONTROL AGENTS AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2010-12-29 WO claimed
EP-2234489-A2 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE Bayer CropScience AG (DE) 2010-10-06 EP claimed
WO-2010094728-A1 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE AG (DE) 2010-08-26 WO claimed
WO-2010075966-A1 METHOD FOR IMPROVED USE OF THE PRODUCTION POTENTIAL OF GENETICALLY MODIFIED PLANTS BAYER CROPSCIENCE AG (DE) 2010-07-08 WO claimed
WO-2010060982-A2 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE SA (FR) 2010-06-03 WO claimed
US-20100130561-A1 CONTROLLING PESTS BY COMBINING INSECTICIDES AND TRANSGENIC PLANTS BY APPLYING DIRECTLY TO LEAVES AND ROOTS BAYER CROPSCIENCE AG (DE) 2010-05-27 US claimed
WO-2010025870-A1 SYNERGISTIC COMBINATIONS OF THIADIAZOL CARBONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
EP-2148926-A1 CONTROLLING PESTS BY COMBINING INSECTICIDES AND TRANSGENIC PLANTS BY APPLYING DIRECTLY TO LEAVES AND ROOTS Bayer CropScience AG (DE) 2010-02-03 EP claimed
WO-2009090181-A2 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE SA (FR) 2009-07-23 WO claimed
WO-2008125362-A1 CONTROLLING PESTS BY COMBINING INSECTICIDES AND TRANSGENIC PLANTS BY APPLYING DIRECTLY TO LEAVES AND ROOTS BAYER CROPSCIENCE AG (DE) 2008-10-23 WO claimed

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

For each of this compound's patents that has machine-readable text (7 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-20130296167-A1 Active Compound Combinations AADAC, ACACA, DDT CDK2 2059/4885CDK9 1249/4885DAO 637/4885
US-20120027741-A1 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE DDT, TH, PRDX5 CDK2 2110/4885CDK9 1244/4885DAO 66/4885
US-20120083463-A1 Insecticidal and Fungicidal Active Compound Combinations DDT, ACHE, CYP4B1 CDK2 4385/4885CDK9 3185/4885DAO 578/4885
US-20100130561-A1 CONTROLLING PESTS BY COMBINING INSECTICIDES AND TRANSGENIC PLANTS BY APPLYING DIRECTLY TO LEAVES AND ROOTS AADAC, ATL3, ANTXR2 CDK2 4087/4885CDK9 3298/4885DAO 101/4885
US-20130288990-A1 CONTROLLING PESTS BY COMBINING INSECTICIDES AND TRANSGENIC PLANTS BY APPLYING DIRECTLY TO LEAVES AND ROOTS AADAC, ATL3, ANTXR2 CDK2 4087/4885CDK9 3298/4885DAO 101/4885
US-20150257387-A1 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE DDT, TH, PRDX5 CDK2 2110/4885CDK9 1244/4885DAO 66/4885
US-20140051576-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A (THIO)CARBOXAMIDE DERIVATIVE AND AN INSECTICIDAL OR ACARICIDAL OR NEMATICIDAL ACTIVE COMPOUND AADAC, TUBA3C, ACACA CDK2 2726/4885CDK9 1265/4885DAO 2381/4885

“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.