SCHEMBL893335

SCHEMBL893335

O=C(NCc1ccnc(-c2ccc(OC(F)(F)F)cc2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 13/20 0.57
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
MMP8 P22894 1/20 0.45
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SCN9A Q15858 1/20 0.41

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
SCHEMBL892880 0.90 TRPA1 (0.57) TRPA1MMP8MMP12MMP13ALDH1A1
SCHEMBL894116 0.88 TRPA1 (0.49) TRPA1HCRTR1HCRTR2MMP8MMP12
SCHEMBL893916 0.88 TRPA1 (0.55) TRPA1SCN9A
SCHEMBL893809 0.86 TRPA1 (0.53) TRPA1SCN9A
SCHEMBL17136546 0.85 TRPA1 (0.54) TRPA1HCRTR1HCRTR2MMP8MMP12
SCHEMBL893831 0.85 TRPA1 (0.78) TRPA1
SCHEMBL17136379 0.84 TRPA1 (0.52) TRPA1HCRTR1HCRTR2MMP8MMP12
SCHEMBL16210354 0.84 TRPA1 (0.49) TRPA1HCRTR1HCRTR2MMP8MMP12
SCHEMBL17136552 0.84 HCRTR1 (0.55) TRPA1HCRTR1HCRTR2MMP8MMP12
SCHEMBL16210090 0.84 TRPA1 (0.48) TRPA1HCRTR1HCRTR2MMP8MMP12

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 1/4885HCRTR1 168/4885HCRTR2 120/4885

“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.