SCHEMBL10035265

SCHEMBL10035265

COC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)c(OC)c3)cc2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 4/20 0.52
▸ SLC6A4 P31645 2/20 0.50
▸ TMPRSS2 O15393 1/20 0.50
▸ MCHR1 Q99705 2/20 0.49
▸ PLAU P00749 1/20 0.48
▸ PLAT P00750 1/20 0.48
▸ STAT3 P40763 1/20 0.47
▸ KLK7 P49862 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ HTR1B P28222 2/20 0.45
▸ HTR2A P28223 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45

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
SCHEMBL10035032 0.84 MAPT (0.49) MCHR1PLAUPLATSTAT3KLK7
SCHEMBL10035051 0.80 MCHR1 (0.49) MCHR1PLAUPLATSTAT3KLK7
SCHEMBL10035062 0.79 ABCB1 (0.55) STAT3KLK7ALDH1A1TP53MAPT
SCHEMBL10035001 0.79 STAT3 (0.55) STAT3KLK7ALDH1A1TP53KMT2A
SCHEMBL10035266 0.79 MCHR1 (0.49) MCHR1PLAUPLATSTAT3KLK7
SCHEMBL10034976 0.79 S1PR1 (0.47) MCHR1PLAUPLATSTAT3KLK7
SCHEMBL10035061 0.78 F10 (0.47) MCHR1PLAUPLATSTAT3KLK7
SCHEMBL10034900 0.78 MAPT (0.48) MCHR1STAT3KMT2AMEN1MAPT
SCHEMBL10035033 0.77 NPC1 (0.47) MCHR1PLAUPLATSTAT3KLK7
SCHEMBL14930255 0.77 STAT3 (0.53) STAT3KLK7ALDH1A1TP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594554-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 — — EP disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 — — US disclosed
WO-2012008435-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2012-01-19 — — 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 (1 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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN HTR1D 507/4885SLC6A4 686/4885TMPRSS2 527/4885

“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.

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