SCHEMBL893916

SCHEMBL893916

O=C(NCc1ccnc(-c2ccc(OC(F)(F)F)cc2)c1)[C@@H]1CC(F)(F)CN1S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 19/20 0.55
SCN9A Q15858 1/20 0.38

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
SCHEMBL893988 0.91 TRPA1 (0.49) TRPA1
SCHEMBL893866 0.88 TRPA1 (0.51) TRPA1SCN9A
SCHEMBL893335 0.88 TRPA1 (0.57) TRPA1SCN9A
SCHEMBL893932 0.85 TRPA1 (0.75) TRPA1
SCHEMBL893809 0.84 TRPA1 (0.53) TRPA1SCN9A
SCHEMBL893930 0.79 TRPA1 (0.62) TRPA1
SCHEMBL893076 0.79 TRPA1 (0.42) TRPA1
SCHEMBL894112 0.79 TRPA1 (0.50) TRPA1
SCHEMBL893935 0.78 TRPA1 (0.45) TRPA1
SCHEMBL893949 0.78 TRPA1 (0.47) 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 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 1/4885SCN9A 235/4885

“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.