SCHEMBL10164646

SCHEMBL10164646

Cc1ccc(-c2cc(CNC(=O)[C@@H]3CC(F)(F)CN3S(=O)(=O)c3ccc(Cl)s3)cc(N3CCCC3C)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.39
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
AADAT Q8N5Z0 5/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
EPHX2 P34913 1/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL894353 0.93 TRPA1 (0.47) TRPA1MMP8MMP12MMP13AADAT
SCHEMBL10164527 0.90 MMP8 (0.45) TRPA1MMP8MMP12MMP13AADAT
SCHEMBL10164636 0.87 TRPA1 (0.48) TRPA1MAPTL3MBTL1
SCHEMBL10164620 0.85 TRPA1 (0.41) TRPA1MEN1KMT2AALDH1A1EPHX2
SCHEMBL10164601 0.85 TRPA1 (0.42) TRPA1MEN1KMT2AALDH1A1EPHX2
SCHEMBL10164618 0.85 TRPA1 (0.38) TRPA1MAPTPOLBMEN1KMT2A
SCHEMBL10164705 0.84 MAPT (0.37) TRPA1MMP8MMP12MMP13AADAT
SCHEMBL10164606 0.84 LMNA (0.40) TRPA1AADATALDH1A1SMN1; SMN2
SCHEMBL10164563 0.84 THRB (0.38) TRPA1AADATMAPTL3MBTL1MEN1
SCHEMBL10164614 0.84 TRPA1 (0.37) TRPA1MAPTPOLBMEN1KMT2A

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.