SCHEMBL13570549

SCHEMBL13570549

O=C(NCc1cc(OCC(F)(F)F)ccn1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 13/20 0.64
ATM Q13315 1/20 0.55
TSHR P16473 1/20 0.54
HTT P42858 2/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL13570550 1.00 TRPA1 (0.64) TRPA1ATMTSHRHTTGAA
SCHEMBL13571219 0.93 TRPA1 (0.55) TRPA1ATMTSHRHTTGAA
SCHEMBL13571218 0.93 TRPA1 (0.55) TRPA1ATMTSHRHTTGAA
SCHEMBL13570589 0.92 TRPA1 (0.55) TRPA1ATMTSHRHTTGAA
SCHEMBL13570588 0.92 TRPA1 (0.55) TRPA1ATMTSHRHTTGAA
SCHEMBL13570565 0.88 TRPA1 (0.68) TRPA1ATMTSHRHTTGAA
SCHEMBL13570566 0.88 TRPA1 (0.68) TRPA1ATMTSHRHTTGAA
SCHEMBL13570646 0.87 MAPT (0.59) TRPA1ATMTSHRHTTGAA
SCHEMBL13570648 0.87 MAPT (0.59) TRPA1ATMTSHRHTTGAA
SCHEMBL894178 0.84 TRPA1 (0.68) TRPA1ATMTSHRHTTLMNA

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
WO-2012152983-A1 PHENYL- SULFONYL DERIVATIVES AS MEDIATORS OF TRPA1 RECEPTOR ACTIVITY FOR THE TREATMENT OF PAIN ORION CORPORATION (FI) 2012-11-15 WO claimed
EP-2520566-A1 New Pharmaceutical Compounds Orion Corporation (FI) 2012-11-07 EP claimed
WO-2012152983-A1 PHENYL- SULFONYL DERIVATIVES AS MEDIATORS OF TRPA1 RECEPTOR ACTIVITY FOR THE TREATMENT OF PAIN ORION CORPORATION (FI) 2012-11-15 WO disclosed
EP-2520566-A1 New Pharmaceutical Compounds Orion Corporation (FI) 2012-11-07 EP disclosed