SCHEMBL10164677

SCHEMBL10164677

Cc1ccc(-c2cc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)cc(NC(C)c3ccccn3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FKBP1A P62942 1/20 0.38

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
SCHEMBL893871 0.92 TRPA1 (0.53) TRPA1LMNASMN1; SMN2ALDH1A1GLA
SCHEMBL10164696 0.91 L3MBTL1 (0.44) TRPA1L3MBTL1MMP8MMP12MMP13
SCHEMBL10164700 0.90 TRPA1 (0.37) TRPA1SMN1; SMN2ALDH1A1
SCHEMBL10164663 0.89 TRPA1 (0.45) TRPA1L3MBTL1MMP8MMP12MMP13
SCHEMBL10164668 0.88 KDM4E (0.43) TRPA1L3MBTL1MMP8MMP12MMP13
SCHEMBL10164537 0.88 ALDH1A1 (0.46) TRPA1L3MBTL1MMP8MMP12MMP13
SCHEMBL10164529 0.86 MMP8 (0.47) TRPA1L3MBTL1MMP8MMP12MMP13
SCHEMBL10164675 0.86 L3MBTL1 (0.51) TRPA1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL10164505 0.86 L3MBTL1 (0.46) TRPA1L3MBTL1MMP8MMP12MMP13
SCHEMBL893776 0.84 TRPA1 (0.54) TRPA1MMP8MMP12MMP13

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 1/4885L3MBTL1 3677/4885MMP8 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.