SCHEMBL7417820

SCHEMBL7417820

COc1ccc(S(=O)(=O)NC(C(=O)O)C(C)(C)SC)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.55
SLC1A2 P43004 1/20 0.55
SLC1A1 P43005 1/20 0.55
MMP2 P08253 14/20 0.54
MMP13 P45452 11/20 0.54
MMP3 P08254 10/20 0.54
MMP1 P03956 9/20 0.54
MMP9 P14780 8/20 0.54
MMP7 P09237 5/20 0.54
MMP8 P22894 5/20 0.54
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
LMNA P02545 1/20 0.46
ADAMTS4 O75173 1/20 0.46

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
SCHEMBL7348382 0.87 MMP9 (0.60) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7413838 0.87 MMP9 (0.53) SLC1A3SLC1A2SLC1A1MMP2MMP13
SCHEMBL7355956 0.85 MMP9 (0.48) SLC1A3SLC1A2SLC1A1MMP2MMP13
SCHEMBL7417731 0.84 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1MMP2MMP13
SCHEMBL7381562 0.82 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1MMP2MMP13
SCHEMBL6528257 0.81 ADAM17 (0.67) MMP2MMP13MMP1MMP9MMP7
SCHEMBL7347577 0.80 MMP9 (0.54) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7762300 0.80 POLB (0.48) SLC1A3SLC1A2SLC1A1MMP2MMP13
SCHEMBL6271062 0.78 MMP9 (0.57) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7417823 0.77 MMP2 (0.54) SLC1A3SLC1A2SLC1A1MMP2MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218389-B1 FOR THERAPY AND PROPHYLAXIS OF ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS; SKIN DISORDERS; OCULAR DISORDERS; INFLAMMATION AND GUM DISEASES, MULTIPLE SCLEROSIS, CACHEXIA, PREVENTING LOOSENING OF PROSTHETIC DEVICES THE PROCTER & GAMBLE CO. 2001-04-17 US disclosed
EP-1009737-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-06-21 EP disclosed
WO-1999006340-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-02-11 WO disclosed