SCHEMBL7428159

SCHEMBL7428159

COc1ccc(S(=O)(=O)N2CN(Cc3ccccc3)C(=O)C[C@@H]2C(=O)NOCc2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 0.80
MMP9 P14780 16/20 0.80
MMP2 P08253 16/20 0.80
MMP3 P08254 15/20 0.80
MMP8 P22894 10/20 0.80
MMP7 P09237 10/20 0.67
MMP13 P45452 5/20 0.52
MMP12 P39900 1/20 0.46
MMP14 P50281 1/20 0.46
MMP15 P51511 1/20 0.46
MMP16 P51512 1/20 0.46
MMP26 Q9NRE1 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
SCHEMBL4312415 0.89 MMP1 (1.00) MMP1MMP9MMP2MMP3MMP8
SCHEMBL7483182 0.87 MMP1 (0.79) MMP1MMP9MMP2MMP3MMP8
SCHEMBL7480347 0.86 MMP2 (0.81) MMP1MMP9MMP2MMP3MMP8
SCHEMBL7480352 0.86 MMP2 (0.81) MMP1MMP9MMP2MMP3MMP8
SCHEMBL7479388 0.86 MMP1 (0.75) MMP1MMP9MMP2MMP3MMP8
SCHEMBL7246059 0.79 MMP3 (0.51) MMP1MMP9MMP2MMP3MMP8
SCHEMBL7245645 0.79 MMP1 (0.51) MMP1MMP9MMP2MMP3MMP8
SCHEMBL7214256 0.77 MMP1 (0.60) MMP1MMP9MMP2MMP3MMP8
SCHEMBL7058353 0.77 MMP1 (0.69) MMP1MMP9MMP2MMP3MMP8
SCHEMBL8379941 0.77 MMP1 (0.48) MMP1MMP9MMP2MMP3MMP8

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