SCHEMBL1903552

SCHEMBL1903552

Cc1ccc(S(=O)(=O)NC(C)C(N)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.56
SLC1A2 P43004 1/20 0.56
SLC1A1 P43005 1/20 0.56
TSHR P16473 2/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MMP2 P08253 4/20 0.55
MMP9 P14780 4/20 0.55
MMP1 P03956 3/20 0.55
MMP13 P45452 3/20 0.55
MMP3 P08254 2/20 0.55
MMP7 P09237 2/20 0.55
CA9 Q16790 3/20 0.54
CA12 O43570 2/20 0.54
CA14 Q9ULX7 1/20 0.54
CA2 P00918 4/20 0.53
ALDH1A1 P00352 2/20 0.53
CA1 P00915 3/20 0.52
MMP8 P22894 2/20 0.52
F2 P00734 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
SCHEMBL7889040 0.85 TSHR (0.58) SLC1A3SLC1A2SLC1A1TSHRHTT
SCHEMBL25269775 0.85 TSHR (0.58) SLC1A3SLC1A2SLC1A1TSHRHTT
SCHEMBL7138463 0.85 TSHR (0.58) SLC1A3SLC1A2SLC1A1TSHRHTT
SCHEMBL791357 0.84 ADAMTS4 (0.61) SLC1A3SLC1A2SLC1A1TSHRHTT
SCHEMBL3687103 0.84 ADAMTS4 (0.61) SLC1A3SLC1A2SLC1A1TSHRHTT
SCHEMBL19000605 0.84 TSHR (0.61) SLC1A3SLC1A2SLC1A1TSHRHTT
SCHEMBL698908 0.84 ADAMTS4 (0.71) SLC1A3SLC1A2SLC1A1TSHRHTT
SCHEMBL4975578 0.84 ADAMTS4 (0.71) SLC1A3SLC1A2SLC1A1TSHRHTT
SCHEMBL698907 0.84 ADAMTS4 (0.71) SLC1A3SLC1A2SLC1A1TSHRHTT
SCHEMBL28256508 0.84 TSHR (0.57) SLC1A3SLC1A2SLC1A1TSHRHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1907352-A2 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS Bexel Pharmaceuticals Inc (US) 2008-04-09 EP claimed
WO-2007005774-A9 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS BEXEL PHARMACEUTICALS INC (US) 2007-03-08 WO claimed
WO-2007005774-A2 NOVEL DERIVATIVES OF AMINO ACIDS FOR TREATMENT OF OBESITY AND RELATED DISORDERS BEXEL PHARMACEUTICALS, INC. (US) 2007-01-11 WO claimed
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO disclosed
CN-101253146-A Novel amino acid derivatives for the treatment of obesity and related disorders BEXEL PHARMACEUTICALS INC (US) 2008-08-27 CN disclosed