SCHEMBL1111178

SCHEMBL1111178

CC(C)(C)OC(=O)Nc1cccc(Oc2cc(F)cc(F)c2C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 2/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SYK P43405 1/20 0.40
MAP2K1 Q02750 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RORC P51449 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL13659212 0.84 MAP2K1 (0.43) MAPTHTTNPSR1KDM4ESYK
SCHEMBL1111265 0.84 MAP2K1 (0.58) MAP2K1
SCHEMBL14087521 0.83 HSD17B10 (0.52) ALDH1A1MAPTHTTNPSR1KDM4E
SCHEMBL1111213 0.81 MAP2K1 (0.44) ALDH1A1MAPTHTTNPSR1KDM4E
SCHEMBL1111126 0.79 EPAS1 (0.37) MAP2K1BRAFKDR
SCHEMBL1111176 0.74 MAP2K1 (0.53) HTTHPGDMAP2K1
SCHEMBL29730783 0.74 RAB9A (0.48) ALDH1A1MAPTHTTKDM4EHPGD
SCHEMBL12709523 0.73 MAP2K1 (0.64) MAP2K1
SCHEMBL14087520 0.73 HPGD (0.47) ALDH1A1MAPTHTTNPSR1KDM4E
SCHEMBL5474962 0.73 MEN1 (0.56) ALDH1A1MAPTNPSR1KDM4EHPGD

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993630-B2 Substituted sulphonamido phenoxybenzamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-31 US disclosed
US-20110237592-A1 SUBSTITUTED AMIDO PHENOXYBENZAMIDES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-29 US disclosed
US-20110218219-A1 SUBSTITUTED SULPHONAMIDO PHENOXYBENZAMIDES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-08 US disclosed
US-20110071125-A1 SUBSTITUTED PHENYLAMINO-BENZENE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH MITOGEN EXTRACELLULAR KINASE ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-03-24 US disclosed
US-20110071125-A1 SUBSTITUTED PHENYLAMINO-BENZENE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH MITOGEN EXTRACELLULAR KINASE ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-03-24 US disclosed
US-20110039819-A1 SUBSTITUTED PHENOXYBENZAMIDES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-17 US disclosed
US-20110039819-A1 SUBSTITUTED PHENOXYBENZAMIDES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-17 US disclosed
EP-2279166-A1 SUBSTITUTED PHENOXYBENZAMIDES Bayer Schering Pharma Aktiengesellschaft (DE) 2011-02-02 EP disclosed
WO-2010051933-A2 SUBSTITUTED SULPHONAMIDO PHENOXYBENZAMIDES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-14 WO disclosed
EP-2155659-A1 SUBSTITUTED PHENYLAMINO-BENZENE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH MITOGEN EXTRACELLULAR KINASE ACTIVITY Bayer Schering Pharma Aktiengesellschaft (DE) 2010-02-24 EP disclosed
WO-2009129938-A1 SUBSTITUTED PHENOXYBENZAMIDES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 WO disclosed
US-20090082328-A1 Substituted phenylamino-benzene derivatives useful for treating hyper-proliferative disorders and diseases associated with mitogen extracellular kinase activity BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2009-03-26 US disclosed
US-20090082328-A1 Substituted phenylamino-benzene derivatives useful for treating hyper-proliferative disorders and diseases associated with mitogen extracellular kinase activity BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2009-03-26 US disclosed
US-20090082328-A1 Substituted phenylamino-benzene derivatives useful for treating hyper-proliferative disorders and diseases associated with mitogen extracellular kinase activity BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2009-03-26 US disclosed
WO-2008138639-A1 SUBSTITUTED PHENYLAMINO-BENZENE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH MITOGEN EXTRACELLULAR KINASE ACTIVITY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-20 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-20110237592-A1 SUBSTITUTED AMIDO PHENOXYBENZAMIDES EDNRB, CCNB3, FLT1 ALDH1A1 3401/4885MAPT 3700/4885HTT 2364/4885
US-20110071125-A1 SUBSTITUTED PHENYLAMINO-BENZENE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH MITOGEN EXTRACELLULAR KINASE ACTIVITY MKI67, CDK4, VHL ALDH1A1 2315/4885MAPT 2531/4885HTT 1402/4885
US-20110039819-A1 SUBSTITUTED PHENOXYBENZAMIDES CCNB3, VEGFA, CCND2 ALDH1A1 1879/4885MAPT 3090/4885HTT 1159/4885
US-20090082328-A1 Substituted phenylamino-benzene derivatives useful for treating hyper-proliferative disorders and diseases associated with mitogen extracellular kinase activity MKI67, CDK4, VHL ALDH1A1 2315/4885MAPT 2531/4885HTT 1402/4885
US-20110218219-A1 SUBSTITUTED SULPHONAMIDO PHENOXYBENZAMIDES CCNB3, MKI67, RB1 ALDH1A1 2049/4885MAPT 4052/4885HTT 2060/4885

“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.