SCHEMBL894349

SCHEMBL894349

CN(C)c1cc(CNC(=O)[C@@H]2C=CCN2S(=O)(=O)c2ccc(Cl)s2)cc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 15/20 0.43
PPARA Q07869 3/20 0.35
EPHX2 P34913 1/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
APP P05067 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
SCHEMBL10164528 0.91 TRPA1 (0.39) TRPA1EPHX2
SCHEMBL894028 0.89 TRPA1 (0.42) TRPA1PPARAEPHX2PPARGPPARD
SCHEMBL894729 0.86 TRPA1 (0.56) TRPA1
SCHEMBL893825 0.86 TRPA1 (0.47) TRPA1
SCHEMBL893858 0.85 VCP (0.44) TRPA1PPARAEPHX2PPARG
SCHEMBL10202205 0.85 VCP (0.44) TRPA1PPARAEPHX2PPARG
SCHEMBL894607 0.85 TRPA1 (0.40) TRPA1PPARA
SCHEMBL894040 0.85 TRPA1 (0.52) TRPA1
SCHEMBL894845 0.85 TRPA1 (0.44) TRPA1EPHX2
SCHEMBL893548 0.84 TRPA1 (0.45) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US claimed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US claimed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO claimed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO 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 1/4885PPARA 961/4885EPHX2 932/4885

“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.