SCHEMBL7346108

SCHEMBL7346108

O=C(O)C(CCc1ccc(Cl)cc1)NS(=O)(=O)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 4/20 0.57
MMP13 P45452 4/20 0.57
MMP7 P09237 1/20 0.55
MMP2 P08253 7/20 0.52
MMP9 P14780 6/20 0.52
BCAT1 P54687 1/20 0.50
ADAMTS5 Q9UNA0 1/20 0.49
KEAP1 Q14145 1/20 0.44
MMP8 P22894 2/20 0.43
MMP14 P50281 1/20 0.43
RAB9A P51151 1/20 0.43
ADAMTS4 O75173 1/20 0.42

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
SCHEMBL7351949 0.94 MMP13 (0.55) MMP12MMP13MMP7MMP2MMP9
SCHEMBL7348895 0.93 MMP13 (0.54) MMP12MMP13MMP7MMP2MMP9
SCHEMBL4425599 0.93 MMP12 (0.62) MMP12MMP13MMP7MMP2MMP9
SCHEMBL4425589 0.93 MMP12 (0.62) MMP12MMP13MMP7MMP2MMP9
SCHEMBL7344001 0.92 MMP13 (0.53) MMP12MMP13MMP7MMP2MMP9
SCHEMBL7348283 0.92 MMP13 (0.53) MMP12MMP13MMP7MMP2MMP9
SCHEMBL6412817 0.90 MMP2 (0.62) MMP12MMP13MMP7MMP2MMP9
SCHEMBL7347931 0.87 MMP2 (0.58) MMP12MMP13MMP7MMP2MMP9
SCHEMBL7351035 0.87 MMP13 (0.60) MMP12MMP13MMP7MMP2MMP9
SCHEMBL7352707 0.86 MMP13 (0.59) MMP12MMP13MMP7MMP2MMP9

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-0929542-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-21 EP claimed
WO-1998009957-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO claimed
US-6294674-B1 FOR THERAPY OF MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, RESTENOSIS, AORTIC ANEURISM, HEART FAILURE, PERIODONTAL DISEASE, CORNEAL ULCERATION, BURNS, DECUBITAL ULCERS, CHRONIC ULCERS OR WOUNDS, CANCER METASTASIS WARNER-LAMBERT COMPANY 2001-09-25 US disclosed
EP-0929542-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-21 EP disclosed
WO-1998009957-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO disclosed