SCHEMBL10164567

SCHEMBL10164567

Cc1ccc(-c2cc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)cc(NCc3ccncc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.44
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KCNQ1 P51787 1/20 0.39

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
SCHEMBL10164505 0.94 L3MBTL1 (0.46) TRPA1MMP8MMP12MMP13L3MBTL1
SCHEMBL10164539 0.92 KDM4E (0.50) TRPA1MMP8MMP12MMP13L3MBTL1
SCHEMBL894024 0.92 TRPA1 (0.52) TRPA1MMP8MMP12MMP13ALDH1A1
SCHEMBL10164529 0.90 MMP8 (0.47) TRPA1MMP8MMP12MMP13L3MBTL1
SCHEMBL10164537 0.89 ALDH1A1 (0.46) TRPA1MMP8MMP12MMP13L3MBTL1
SCHEMBL10164663 0.89 TRPA1 (0.45) TRPA1MMP8MMP12MMP13L3MBTL1
SCHEMBL10164607 0.88 TRPA1 (0.38) TRPA1ALDH1A1MEN1KMT2A
SCHEMBL10164515 0.87 TRPA1 (0.42) TRPA1MMP8MMP12MMP13L3MBTL1
SCHEMBL10164538 0.86 ALDH1A1 (0.37) TRPA1MAPTALDH1A1MEN1KMT2A
SCHEMBL10203339 0.86 TRPA1 (0.52) TRPA1MMP8MMP12MMP13ALDH1A1

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 1/4885MMP8 719/4885MMP12 1962/4885

“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.