SCHEMBL894103

SCHEMBL894103

O=C(NCc1cc(-c2ccc(OC(F)(F)F)cc2)ccn1)[C@@H]1C=CCN1S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 14/20 0.45
GSK3B P49841 1/20 0.39
EPHX2 P34913 1/20 0.35
SCN9A Q15858 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
SHMT2 P34897 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
SCHEMBL893761 0.90 TRPA1 (0.48) TRPA1EPHX2
SCHEMBL893809 0.88 TRPA1 (0.53) TRPA1GSK3BSCN9A
SCHEMBL894116 0.85 TRPA1 (0.49) TRPA1GSK3BTP53MAPTHCRTR1
SCHEMBL894114 0.85 TRPA1 (0.56) TRPA1
SCHEMBL16210211 0.84 HDAC3 (0.42) TRPA1GSK3BEPHX2SCN9ASHMT2
SCHEMBL893866 0.84 TRPA1 (0.51) TRPA1GSK3BSCN9A
SCHEMBL893825 0.78 TRPA1 (0.47) TRPA1
SCHEMBL16210339 0.77 TRPA1 (0.43) TRPA1EPHX2SCN9A
SCHEMBL893649 0.77 TRPA1 (0.43) TRPA1EPHX2MAPT
SCHEMBL16210469 0.77 RHOC (0.49) TRPA1TP53MAPT

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 4 patents. 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 claimed
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

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 1/4885GSK3B 4273/4885EPHX2 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.