SCHEMBL7302376

SCHEMBL7302376

CC(C)(CS(=O)(=O)c1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)NO

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.50
MMP13 P45452 12/20 0.50
MMP1 P03956 8/20 0.50
ADAMTS4 O75173 1/20 0.43
MMP14 P50281 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
LIPE Q05469 1/20 0.43
P2RX3 P56373 2/20 0.41
DAGLA Q9Y4D2 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
LGMN Q99538 1/20 0.40
FPR2 P25090 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL7307841 0.89 MMP2 (0.43) MMP2MMP13MMP1LIPEP2RX3
SCHEMBL7299694 0.86 MMP13 (0.62) MMP2MMP13MMP1MMP14LGMN
SCHEMBL27463208 0.82 CNR1 (0.40) MMP2MMP13MMP1ADAMTS4MMP14
SCHEMBL940743 0.73 PTGS2 (0.57) LIPEP2RX3DAGLAHRH3SCN9A
SCHEMBL20325535 0.73 LIPE (0.48) MMP2MMP13MMP1ADAMTS4MMP14
SCHEMBL8423711 0.72 LIPE (0.47) LIPEP2RX3DAGLAHRH3FPR2
SCHEMBL7300208 0.72 MMP13 (0.78) MMP2MMP13MMP1MMP14
SCHEMBL10833967 0.71 DAGLA (0.44) MMP2MMP13MMP1ADAMTS4MMP14
SCHEMBL7416696 0.69 MMP13 (0.67) MMP2MMP13MMP1MMP14
SCHEMBL6808653 0.69 PTGS2 (0.53) LIPEP2RX3DAGLAHRH3

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
CN-1177821-C Matrix metalloprotease inhibitors - 2004-12-01 CN disclosed
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
CN-1160045-A Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 1997-09-24 CN disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed