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SCHEMBL1111126

SCHEMBL1111126

CC(C)(C)OC(=O)Cc1cccc(Oc2cc(F)cc(F)c2C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 4/20 0.37
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ F10 P00742 3/20 0.36
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ VEGFA P15692 4/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ BRAF P15056 2/20 0.34
▸ MAOB P27338 1/20 0.34
▸ MAP2K1 Q02750 2/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ PDGFA P04085 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ PDGFRB P09619 1/20 0.33

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
SCHEMBL1111178 0.79 ALDH1A1 (0.42) BRAFMAP2K1KDR
SCHEMBL16109388 0.72 ERCC1 (0.46) MTNR1AMTNR1BMAOBGSK3B
SCHEMBL27578835 0.71 CTBP2 (0.55) MTNR1AMTNR1B
SCHEMBL15042330 0.71 MEP1B (0.47) MTNR1AMTNR1B
SCHEMBL27772416 0.71 VNN1 (0.50) MAPK14
SCHEMBL25082081 0.70 PLA2G4B (0.48) MTNR1AMTNR1BMAOB
SCHEMBL30278822 0.70 PLA2G4B (0.48) MTNR1AMTNR1BMAOB
SCHEMBL2988579 0.70 CACNA1H (0.45) CTSSCTSKMTNR1AMTNR1BCACNA1H
SCHEMBL13172117 0.70 TRPA1 (0.48) MTNR1AMTNR1BCACNA1H
SCHEMBL18458153 0.68 ELANE (0.46) MTNR1AMTNR1B

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
EP-2346818-B1 SUBSTITUTED SULPHONAMIDO PHENOXYBENZAMIDES BAYER IP GMBH (DE) 2012-12-05 — — EP 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
EP-2356091-A2 SUBSTITUTED AMIDO PHENOXYBENZAMIDES Bayer Schering Pharma AG (DE) 2011-08-17 — — EP disclosed
EP-2346818-A2 SUBSTITUTED SULPHONAMIDO PHENOXYBENZAMIDES Bayer Schering Pharma AG (DE) 2011-07-27 — — EP 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
EP-2279166-A1 SUBSTITUTED PHENOXYBENZAMIDES Bayer Schering Pharma Aktiengesellschaft (DE) 2011-02-02 — — EP disclosed
WO-2010051935-A2 SUBSTITUTED AMIDO PHENOXYBENZAMIDES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-14 — — WO 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
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 EPAS1 826/4885CTSS 2052/4885CTSK 2810/4885
US-20110071125-A1 SUBSTITUTED PHENYLAMINO-BENZENE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH MITOGEN EXTRACELLULAR KINASE ACTIVITY MKI67, CDK4, VHL EPAS1 308/4885CTSS 3979/4885CTSK 2936/4885
US-20110039819-A1 SUBSTITUTED PHENOXYBENZAMIDES CCNB3, VEGFA, CCND2 EPAS1 479/4885CTSS 1740/4885CTSK 3071/4885
US-20090082328-A1 Substituted phenylamino-benzene derivatives useful for treating hyper-proliferative disorders and diseases associated with mitogen extracellular kinase activity MKI67, CDK4, VHL EPAS1 308/4885CTSS 3979/4885CTSK 2936/4885
US-20110218219-A1 SUBSTITUTED SULPHONAMIDO PHENOXYBENZAMIDES CCNB3, MKI67, RB1 EPAS1 803/4885CTSS 1630/4885CTSK 2911/4885

“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.