SCHEMBL16635103

SCHEMBL16635103

COCCOc1cc(-c2ccc(C(F)(F)F)nc2)cc(CNC(=O)C2CC(F)CN2S(=O)(=O)c2ccc(F)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 1.00

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
SCHEMBL16648266 1.00 TRPA1 (1.00) TRPA1
SCHEMBL16647859 0.94 TRPA1 (0.88) TRPA1
SCHEMBL16647770 0.93 TRPA1 (1.00) TRPA1
SCHEMBL20112834 0.89 TRPA1 (0.80) TRPA1
SCHEMBL16648061 0.88 TRPA1 (0.86) TRPA1
SCHEMBL16635162 0.88 TRPA1 (1.00) TRPA1
SCHEMBL16647771 0.88 TRPA1 (1.00) TRPA1
SCHEMBL17959647 0.87 TRPA1 (0.77) TRPA1
SCHEMBL16648056 0.87 TRPA1 (0.87) TRPA1
SCHEMBL16648023 0.84 TRPA1 (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055302-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. Hoffmann-La Roche AG (CH) 2016-08-17 EP disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed