SCHEMBL7354064

SCHEMBL7354064

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

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.69
ADAMTS4 O75173 6/20 0.64
MMP13 P45452 10/20 0.61
MMP2 P08253 9/20 0.61
MMP3 P08254 5/20 0.61
MMP1 P03956 5/20 0.61
MMP7 P09237 2/20 0.61
TARS1 P26639 1/20 0.51
MMP14 P50281 2/20 0.49
ADAMTS5 Q9UNA0 2/20 0.49
MEP1B Q16820 1/20 0.49
ADAM17 P78536 1/20 0.48
BCL2L1 Q07817 1/20 0.48
MCL1 Q07820 1/20 0.48
FFAR1 O14842 1/20 0.48
PGR P06401 1/20 0.48

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
SCHEMBL7348920 0.89 MMP9 (0.55) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL7347207 0.89 MMP9 (0.55) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL7763645 0.89 MMP9 (0.55) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL7354161 0.89 MMP13 (0.56) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL6272434 0.88 MMP13 (0.71) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL7348382 0.87 MMP9 (0.60) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL7758697 0.85 ADAMTS4 (0.61) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL6271062 0.85 MMP9 (0.57) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL7355442 0.82 MMP9 (0.54) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL14217417 0.81 MMP9 (0.74) MMP9ADAMTS4MMP13MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed
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