SCHEMBL10164573

SCHEMBL10164573

Cc1ccc(-c2cc(CNC(=O)[C@@H]3CC(F)(F)CN3S(=O)(=O)c3ccc(F)cc3)cc(NCc3cccnc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
TRPA1 O75762 15/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL10164633 0.92 TRPA1 (0.49) TRPA1
SCHEMBL894434 0.92 TSHR (0.51) TSHRTRPA1
SCHEMBL10164543 0.92 TRPA1 (0.49) TRPA1
SCHEMBL10164644 0.89 TRPA1 (0.46) TSHRTRPA1
SCHEMBL10164634 0.88 TSHR (0.67) TSHRTRPA1CYP3A4CYP2D6CYP2C9
SCHEMBL10164597 0.88 TRPA1 (0.47) TRPA1
SCHEMBL10164565 0.87 TRPA1 (0.52) TRPA1
SCHEMBL10164581 0.87 CYP2C9 (0.40) TSHRTRPA1CYP3A4CYP2D6CYP2C9
SCHEMBL10164568 0.86 TSHR (0.49) TSHRTRPA1CYP3A4CYP2D6CYP2C9
SCHEMBL10164549 0.85 TSHR (0.50) TSHRTRPA1CYP3A4CYP2D6CYP2C9

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 TSHR 2952/4885TRPA1 1/4885CYP3A4 1670/4885

“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.