SCHEMBL7355442

SCHEMBL7355442

CC(C)(SCc1ccccc1)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.54
ADAMTS4 O75173 5/20 0.51
MMP13 P45452 11/20 0.49
MMP1 P03956 6/20 0.49
ADAM17 P78536 1/20 0.49
MMP2 P08253 10/20 0.48
MMP3 P08254 3/20 0.48
MMP7 P09237 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
MMP14 P50281 2/20 0.44
ADAMTS5 Q9UNA0 2/20 0.44
MEP1B Q16820 1/20 0.44
TARS1 P26639 1/20 0.43
FFAR1 O14842 1/20 0.43

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
SCHEMBL7346996 0.93 MMP13 (0.52) MMP9ADAMTS4MMP13MMP1ADAM17
SCHEMBL7763089 0.90 MMP9 (0.53) MMP9ADAMTS4MMP13MMP1MMP2
SCHEMBL11810948 0.89 ALDH1A1 (0.50) MMP9ADAMTS4MMP13MMP1ADAM17
SCHEMBL7417731 0.86 SLC1A3 (0.50) MMP9ADAMTS4MMP13MMP1ADAM17
SCHEMBL7348382 0.85 MMP9 (0.60) MMP9ADAMTS4MMP13MMP1MMP2
SCHEMBL7354843 0.85 MMP13 (0.47) MMP9ADAMTS4MMP13MMP1ADAM17
SCHEMBL7353818 0.84 MMP9 (0.60) MMP9ADAMTS4MMP13MMP1ADAM17
SCHEMBL7762134 0.83 MMP9 (0.46) MMP9ADAMTS4MMP13MMP1ADAM17
SCHEMBL6271062 0.83 MMP9 (0.57) MMP9ADAMTS4MMP13MMP1MMP2
SCHEMBL7354064 0.82 MMP9 (0.69) MMP9ADAMTS4MMP13MMP1ADAM17

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