SCHEMBL894677

SCHEMBL894677

CC(Nc1cc(CNC(=O)[C@@H]2C=CCN2S(=O)(=O)c2ccc(Cl)s2)cc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 11/20 0.40
EPHX2 P34913 1/20 0.35
FFAR1 O14842 1/20 0.35
MDM2 Q00987 5/20 0.35
PTGS2 P35354 1/20 0.34
VCP P55072 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
SCHEMBL893449 0.95 TRPA1 (0.40) TRPA1
SCHEMBL893072 0.93 TRPA1 (0.39) TRPA1MDM2
SCHEMBL10164672 0.92 TRPA1 (0.34) TRPA1EPHX2VCP
SCHEMBL10202205 0.89 VCP (0.44) TRPA1EPHX2VCP
SCHEMBL893858 0.89 VCP (0.44) TRPA1EPHX2VCP
SCHEMBL894028 0.89 TRPA1 (0.42) TRPA1EPHX2
SCHEMBL893776 0.88 TRPA1 (0.54) TRPA1
SCHEMBL10164669 0.88 TRPA1 (0.34) TRPA1EPHX2
SCHEMBL894197 0.87 TRPA1 (0.46) TRPA1
SCHEMBL894404 0.87 TRPA1 (0.43) TRPA1FFAR1

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 1/4885EPHX2 932/4885FFAR1 419/4885

“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.