SCHEMBL7347207

SCHEMBL7347207

CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(Br)cc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 12/20 0.55
MMP2 P08253 11/20 0.53
MMP1 P03956 11/20 0.53
MMP13 P45452 11/20 0.53
MMP3 P08254 9/20 0.53
MMP7 P09237 8/20 0.53
MMP14 P50281 1/20 0.53
ADAMTS4 O75173 2/20 0.52
ADAM17 P78536 2/20 0.49
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
MMP8 P22894 1/20 0.45
NAT1 P18440 1/20 0.44

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
SCHEMBL7349158 0.91 MMP2 (0.51) MMP9MMP2MMP1MMP13MMP3
SCHEMBL7758584 0.91 MMP2 (0.51) MMP9MMP2MMP1MMP13MMP3
SCHEMBL7758579 0.91 MMP2 (0.51) MMP9MMP2MMP1MMP13MMP3
SCHEMBL7354064 0.89 MMP9 (0.69) MMP9MMP2MMP1MMP13MMP3
SCHEMBL7354161 0.87 MMP13 (0.56) MMP9MMP2MMP1MMP13MMP3
SCHEMBL7763645 0.87 MMP9 (0.55) MMP9MMP2MMP1MMP13MMP3
SCHEMBL7348920 0.87 MMP9 (0.55) MMP9MMP2MMP1MMP13MMP3
SCHEMBL6272434 0.81 MMP13 (0.71) MMP9MMP2MMP1MMP13MMP3
SCHEMBL8776693 0.79 MMP2 (0.60) MMP9MMP2MMP1MMP13MMP3
SCHEMBL12520517 0.79 MMP2 (0.60) MMP9MMP2MMP1MMP13MMP3

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
EP-0973748-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 2000-01-26 EP disclosed
US-5985900-A TREATING TUMOR GROWTH, INVASION OR METASTASIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CHRONIC DERMAL WOUNDS, CORNEAL ULCERATION, DEGENERATIVE SKIN DISORDERS, MULTIPLE SCLEROSIS, STROKE, ATHEROSCLEROSIS, AGOURON PHARMACEUTICALS, INC. (US) 1999-11-16 US disclosed
WO-1998043963-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES AGOURON PHARMACEUTICALS, INC. (US) 1998-10-08 WO disclosed