SCHEMBL23525752

SCHEMBL23525752

COc1nc(NS(C)(=O)=O)ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 8/20 0.37
SCN9A Q15858 1/20 0.36
PIK3CD O00329 5/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
CYP17A1 P05093 2/20 0.35
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
CCR5 P51681 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
EDNRA P25101 2/20 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
SCHEMBL30791387 1.00 CCR4 (0.37) CCR4SCN9APIK3CDPIK3CAPIK3CB
SCHEMBL16887438 0.81 CYP1A2 (0.37) SCN9APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL26934898 0.80 KDM4E (0.43) CCR4PIK3CGCYP17A1GAALMNA
SCHEMBL24437605 0.80 SCN9A (0.40) CCR4SCN9APIK3CACYP17A1
SCHEMBL16333322 0.80 PIK3CA (0.37) SCN9APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10264228 0.80 KMT2A (0.42) SCN9ACYP17A1GAALMNAMAPK1
SCHEMBL15228266 0.77 EDNRA (0.50) LMNAMAPK1KDM4EKMT2AEDNRA
SCHEMBL20575792 0.77 EDNRA (0.46) CCR4PIK3CAGAAMAPK1KDM4E
SCHEMBL20576673 0.77 KDM4E (0.49) CCR4GAAMAPK1KDM4EKMT2A
SCHEMBL30634072 0.77 EDNRA (0.46) CCR4PIK3CAGAAMAPK1KDM4E

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-3847154-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS F. Hoffmann-La Roche AG (CH) 2021-07-14 EP disclosed
US-20210188775-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS GENENTECH, INC. (US) 2021-06-24 US disclosed
CN-112805267-A Carboxamide and sulfonamide derivatives as TEAD modulators 豪夫迈·罗氏有限公司 2021-05-14 CN 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-20210188775-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS TEAD2, TEAD1, SULT2A1 CCR4 4538/4885SCN9A 432/4885PIK3CD 920/4885

“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.