SCHEMBL4013300

SCHEMBL4013300

CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)NC3CCCC3)cc12)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 20/20 1.00
MMP13 P45452 18/20 1.00
MMP2 P08253 1/20 0.70
MMP3 P08254 1/20 0.70
MMP9 P14780 1/20 0.70
MMP14 P50281 1/20 0.70

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
SCHEMBL31490189 1.00 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4013232 0.84 MMP12 (0.73) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4013239 0.84 MMP12 (0.73) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4013161 0.83 MMP12 (0.77) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4013167 0.83 MMP12 (0.77) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4010854 0.83 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL31490286 0.83 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4009939 0.83 MMP12 (0.73) MMP12MMP13
SCHEMBL4011322 0.83 MMP12 (0.76) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4008697 0.83 MMP12 (0.73) MMP12MMP13

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