SCHEMBL10164658

SCHEMBL10164658

Cc1ccc(-c2cc(CNC(=O)[C@@H]3CC(F)(F)CN3S(=O)(=O)c3ccc(Cl)s3)cc(NC(C)c3ccncc3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 14/20 0.37
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
EPHX2 P34913 1/20 0.31

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
SCHEMBL10164682 0.94 TRPA1 (0.38) TRPA1
SCHEMBL893323 0.94 TRPA1 (0.43) TRPA1
SCHEMBL10164647 0.92 TRPA1 (0.37) TRPA1
SCHEMBL10164607 0.90 TRPA1 (0.38) TRPA1MEN1KMT2ANPC1RAB9A
SCHEMBL10164700 0.89 TRPA1 (0.37) TRPA1
SCHEMBL10164663 0.89 TRPA1 (0.45) TRPA1MEN1KMT2A
SCHEMBL894404 0.89 TRPA1 (0.43) TRPA1
SCHEMBL10164620 0.88 TRPA1 (0.41) TRPA1MEN1KMT2AEPHX2
SCHEMBL894136 0.87 TRPA1 (0.41) TRPA1
SCHEMBL10164659 0.87 TRPA1 (0.47) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 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 (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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 TRPA1 1/4885MEN1 4531/4885KMT2A 3371/4885

“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.