SCHEMBL13570517

SCHEMBL13570517

COc1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.69
USP2 O75604 1/20 0.69
GAA P10253 1/20 0.69
TDP1 Q9NUW8 1/20 0.67
HCRTR1 O43613 4/20 0.62
HCRTR2 O43614 4/20 0.62
RAB9A P51151 1/20 0.62
MMP1 P03956 3/20 0.61
MMP3 P08254 3/20 0.61
MMP7 P09237 3/20 0.61
MMP13 P45452 2/20 0.61
MMP9 P14780 2/20 0.61
CYP3A4 P08684 1/20 0.58

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
SCHEMBL13571490 0.90 USP2 (0.67) FKBP1AUSP2GAAHCRTR1HCRTR2
SCHEMBL13571191 0.89 FKBP1A (0.77) FKBP1ATDP1RAB9AMMP9
SCHEMBL13570758 0.85 FKBP1A (0.69) FKBP1ATDP1RAB9A
SCHEMBL13571106 0.85 FKBP1A (0.69) FKBP1ATDP1RAB9A
SCHEMBL13570871 0.85 TDP1 (0.69) FKBP1AUSP2GAATDP1RAB9A
SCHEMBL15244866 0.84 FKBP1A (0.67) FKBP1ATDP1
SCHEMBL13570706 0.83 FKBP1A (0.66) FKBP1ATDP1HCRTR1HCRTR2
SCHEMBL13570707 0.83 FKBP1A (0.66) FKBP1ATDP1HCRTR1HCRTR2
SCHEMBL13570817 0.81 ATM (0.77) FKBP1ATDP1RAB9A
SCHEMBL13571310 0.81 TDP1 (0.61) FKBP1AUSP2GAATDP1RAB9A

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