SCHEMBL893736

SCHEMBL893736

O=C(NCc1cc(NCc2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 10/20 0.52
VCP P55072 1/20 0.47
AADAT Q8N5Z0 4/20 0.44
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
FKBP1A P62942 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL10203339 1.00 TRPA1 (0.52) TRPA1VCPAADATMMP8MMP12
SCHEMBL894024 0.94 TRPA1 (0.52) TRPA1VCPMMP8MMP12MMP13
SCHEMBL893432 0.93 TRPA1 (0.49) TRPA1VCPMMP8MMP12MMP13
SCHEMBL894480 0.91 TRPA1 (0.49) TRPA1AADATMMP8MMP12MMP13
SCHEMBL10164505 0.91 L3MBTL1 (0.46) TRPA1AADATMMP8MMP12MMP13
SCHEMBL894301 0.90 TRPA1 (0.56) TRPA1MMP8MMP12MMP13ALDH1A1
SCHEMBL893776 0.89 TRPA1 (0.54) TRPA1MMP8MMP12MMP13
SCHEMBL894157 0.89 VCP (0.43) TRPA1VCPAADAT
SCHEMBL893951 0.87 TRPA1 (0.51) TRPA1AADATMMP8MMP12MMP13
SCHEMBL893858 0.87 VCP (0.44) TRPA1VCPAADAT

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 6 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
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 1/4885VCP 2458/4885AADAT 349/4885

“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.