SCHEMBL1111170

SCHEMBL1111170

O=S(=O)(Nc1cccc(O)c1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 2/20 0.49
HSD17B2 P37059 5/20 0.49
UQCRB P14927 1/20 0.46
ESR1 P03372 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B1 P14061 2/20 0.43
PKM P14618 1/20 0.43
NR3C1 P04150 1/20 0.42
CYP1A2 P05177 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL29223932 0.82 KEAP1 (0.52) KMT2AESR1ALDH1A1HTTPKM
SCHEMBL1111199 0.79 HTT (0.64) KMT2AHSD17B2UQCRBALDH1A1HTT
SCHEMBL16719719 0.78 HSD17B2 (0.44) CYP3A4TSHRKMT2AHSD17B2UQCRB
SCHEMBL16719709 0.77 TSHR (0.40) CYP3A4TSHRKMT2AHSD17B2UQCRB
SCHEMBL3259769 0.76 HSD17B2 (0.73) KMT2AHSD17B2UQCRBALDH1A1LMNA
SCHEMBL9307026 0.73 HSD17B2 (0.67) CYP3A4HSD17B2UQCRBALDH1A1HTT
SCHEMBL27182682 0.73 HSD17B2 (0.56) CYP3A4TSHRKMT2AHSD17B2UQCRB
SCHEMBL8956206 0.72 KMT2A (0.55) CYP3A4TSHRKMT2AALDH1A1MMP1
SCHEMBL27182980 0.72 HSD17B2 (0.58) CYP3A4TSHRKMT2AHSD17B2UQCRB
SCHEMBL6297524 0.71 HSD17B2 (0.70) KMT2AHSD17B2UQCRBALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20110071125-A1 SUBSTITUTED PHENYLAMINO-BENZENE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH MITOGEN EXTRACELLULAR KINASE ACTIVITY MKI67, CDK4, VHL CYP3A4 4609/4885TSHR 4083/4885KMT2A 1838/4885
US-20110039819-A1 SUBSTITUTED PHENOXYBENZAMIDES CCNB3, VEGFA, CCND2 CYP3A4 639/4885TSHR 1986/4885KMT2A 383/4885
US-20090082328-A1 Substituted phenylamino-benzene derivatives useful for treating hyper-proliferative disorders and diseases associated with mitogen extracellular kinase activity MKI67, CDK4, VHL CYP3A4 4609/4885TSHR 4083/4885KMT2A 1838/4885

“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.