SCHEMBL4012706

SCHEMBL4012706

CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc([N+](=O)[O-])ccc12)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 19/20 0.55
MMP13 P45452 16/20 0.51
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP9 P14780 1/20 0.47

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
SCHEMBL4012702 1.00 MMP12 (0.55) MMP12MMP13MMP1MMP2MMP3
SCHEMBL4010116 0.95 MMP12 (0.53) MMP12MMP13
SCHEMBL4010113 0.95 MMP12 (0.53) MMP12MMP13
SCHEMBL3072052 0.90 MMP12 (0.59) MMP12MMP13MMP1MMP2MMP3
SCHEMBL3072054 0.90 MMP12 (0.59) MMP12MMP13MMP1MMP2MMP3
SCHEMBL4011617 0.87 MMP12 (0.73) MMP12MMP13
SCHEMBL4011620 0.87 MMP12 (0.73) MMP12MMP13
SCHEMBL3085738 0.86 MMP12 (0.74) MMP12MMP13MMP1MMP2MMP3
SCHEMBL3080893 0.85 MMP12 (0.59) MMP12MMP13MMP1MMP2MMP3
SCHEMBL4014733 0.84 MMP12 (0.53) MMP12MMP13MMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074107-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-01 EP disclosed
WO-2008057254-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-05-15 WO disclosed