SCHEMBL893858

SCHEMBL893858

O=C(NCc1cc(NCc2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)c1)[C@@H]1C=CCN1S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VCP P55072 10/20 0.44
TRPA1 O75762 6/20 0.40
PPARG P37231 1/20 0.35
AADAT Q8N5Z0 1/20 0.35
EPHX2 P34913 1/20 0.34
PPARA Q07869 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
SCHEMBL10202205 1.00 VCP (0.44) VCPTRPA1PPARGAADATEPHX2
SCHEMBL894607 0.94 TRPA1 (0.40) VCPTRPA1PPARA
SCHEMBL893811 0.93 TRPA1 (0.39) VCPTRPA1
SCHEMBL893626 0.91 TRPA1 (0.41) VCPTRPA1PPARG
SCHEMBL10164500 0.91 VCP (0.39) VCPTRPA1
SCHEMBL894028 0.90 TRPA1 (0.42) TRPA1PPARGEPHX2PPARA
SCHEMBL894677 0.89 TRPA1 (0.40) VCPTRPA1EPHX2
SCHEMBL893736 0.87 TRPA1 (0.52) VCPTRPA1AADAT
SCHEMBL10203339 0.87 TRPA1 (0.52) VCPTRPA1AADAT
SCHEMBL893849 0.87 LMNA (0.40) TRPA1PPARG

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 5 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
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
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 VCP 2458/4885TRPA1 1/4885PPARG 413/4885

“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.