SCHEMBL10164696

SCHEMBL10164696

Cc1ccc(-c2cc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)cc(NC(C)c3ccccc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
TRPA1 O75762 1/20 0.44
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 1/20 0.41
FKBP1A P62942 3/20 0.41
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 1/20 0.40
AADAT Q8N5Z0 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 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
SCHEMBL10164663 0.94 TRPA1 (0.45) L3MBTL1TRPA1MMP8MMP12MMP13
SCHEMBL10164668 0.93 KDM4E (0.43) L3MBTL1TRPA1MMP8MMP12MMP13
SCHEMBL893776 0.92 TRPA1 (0.54) TRPA1MMP8MMP12MMP13
SCHEMBL10164677 0.91 TRPA1 (0.43) L3MBTL1TRPA1MMP8MMP12MMP13
SCHEMBL10164505 0.89 L3MBTL1 (0.46) L3MBTL1TRPA1MMP8MMP12MMP13
SCHEMBL10164682 0.89 TRPA1 (0.38) TRPA1AADAT
SCHEMBL10164529 0.88 MMP8 (0.47) L3MBTL1TRPA1MMP8MMP12MMP13
SCHEMBL10164672 0.87 TRPA1 (0.34) L3MBTL1TRPA1ALDH1A1MAPTLMNA
SCHEMBL894180 0.87 TRPA1 (0.54) TRPA1MMP8MMP12MMP13
SCHEMBL10164691 0.85 L3MBTL1 (0.53) L3MBTL1TRPA1FKBP1AMAPTLMNA

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 L3MBTL1 3677/4885TRPA1 1/4885MMP8 719/4885

“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.