SCHEMBL10164647

SCHEMBL10164647

Cc1ccc(-c2cc(CNC(=O)[C@@H]3CC(F)(F)CN3S(=O)(=O)c3ccc(Cl)s3)cc(NC(C)c3cccnc3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.37
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
KCNA5 P22460 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PKM P14618 1/20 0.33
PFKFB3 Q16875 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL894136 0.93 TRPA1 (0.41) TRPA1
SCHEMBL10164682 0.93 TRPA1 (0.38) TRPA1
SCHEMBL10164658 0.92 TRPA1 (0.37) TRPA1
SCHEMBL10164668 0.89 KDM4E (0.43) TRPA1CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL10164581 0.89 CYP2C9 (0.40) TRPA1CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL10164700 0.88 TRPA1 (0.37) TRPA1ALDH1A1ADORA2AADORA2BKDM4E
SCHEMBL10164644 0.87 TRPA1 (0.46) TRPA1
SCHEMBL893323 0.86 TRPA1 (0.43) TRPA1
SCHEMBL10164555 0.86 CYP3A4 (0.35) TRPA1CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL894404 0.86 TRPA1 (0.43) 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 1/4885CYP3A4 1670/4885CYP2C9 902/4885

“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.