SCHEMBL10164557

SCHEMBL10164557

Cc1ccc(-c2cc(CNC(=O)[C@@H]3CC(F)(F)CN3S(=O)(=O)c3ccc(Cl)s3)cc(NCc3ccccc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.39
AADAT Q8N5Z0 4/20 0.38
VCP P55072 8/20 0.38
MMP2 P08253 1/20 0.37
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL10164607 0.94 TRPA1 (0.38) TRPA1VCP
SCHEMBL10164581 0.93 CYP2C9 (0.40) TRPA1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL894157 0.92 VCP (0.43) TRPA1AADATVCP
SCHEMBL10164615 0.91 ALDH1A1 (0.40) TRPA1PKM
SCHEMBL10164620 0.91 TRPA1 (0.41) TRPA1
SCHEMBL10164682 0.90 TRPA1 (0.38) TRPA1AADATMMP2
SCHEMBL10164505 0.87 L3MBTL1 (0.46) TRPA1AADATGAACYP3A4CYP2C9
SCHEMBL10164606 0.87 LMNA (0.40) TRPA1AADATMMP2GAACYP3A4
SCHEMBL893076 0.86 TRPA1 (0.42) TRPA1VCP
SCHEMBL10164700 0.86 TRPA1 (0.37) 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 1/4885AADAT 349/4885VCP 2458/4885

“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.