SCHEMBL7425855

SCHEMBL7425855

COc1ccc(S(=O)(=O)N[C@H](CC(=O)O)C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.62
MMP2 P08253 15/20 0.61
MMP13 P45452 10/20 0.61
MMP9 P14780 9/20 0.61
MMP3 P08254 7/20 0.61
MMP1 P03956 6/20 0.61
SLC1A3 P43003 1/20 0.59
SLC1A2 P43004 1/20 0.59
SLC1A1 P43005 1/20 0.59
MMP8 P22894 3/20 0.59
MMP7 P09237 1/20 0.58
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54

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
SCHEMBL7391079 1.00 KEAP1 (0.62) KEAP1MMP2MMP13MMP9MMP3
SCHEMBL3120047 0.89 SLC1A3 (0.60) KEAP1MMP2MMP13MMP9MMP3
SCHEMBL7341150 0.89 SLC1A3 (0.60) KEAP1MMP2MMP13MMP9MMP3
SCHEMBL22234176 0.89 SLC1A3 (0.60) KEAP1MMP2MMP13MMP9MMP3
SCHEMBL13570627 0.88 MMP2 (0.58) KEAP1MMP2MMP13MMP9MMP3
SCHEMBL13570496 0.88 MMP2 (0.58) KEAP1MMP2MMP13MMP9MMP3
SCHEMBL13570499 0.87 MMP2 (0.62) MMP2MMP13MMP9MMP3MMP1
SCHEMBL13570807 0.87 MMP2 (0.62) MMP2MMP13MMP9MMP3MMP1
SCHEMBL4619626 0.87 MMP2 (0.66) MMP2MMP13MMP9MMP3MMP1
SCHEMBL4621504 0.87 MMP2 (0.66) MMP2MMP13MMP9MMP3MMP1

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-0923561-B1 HETEROCYCLIC METALLOPROTEASE INHIBITORS PROCTER & GAMBLE (US) 2002-10-23 EP disclosed
US-6399598-B1 ORAL DISEASES; RHEUMATIC DISEASES; OSTEOPOROSIS THE PROCTER & GAMBLE COMPANY 2002-06-04 US disclosed
US-6121258-A FOR TREATMENT OF ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS, SKIN DISORDERS, OCULAR DISORDERS, INFLAMMATION, GUM DISEASE THE PROCTER & GAMBLE COMPANY (US) 2000-09-19 US disclosed
EP-0923561-A1 HETEROCYCLIC METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-06-23 EP disclosed
WO-1998008823-A1 HETEROCYCLIC METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1998-03-05 WO disclosed