SCHEMBL4008632

SCHEMBL4008632

COC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)oc1cc(N)c(Br)cc12)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 20/20 0.60
MMP13 P45452 16/20 0.60
MMP2 P08253 1/20 0.55
MMP3 P08254 1/20 0.55
MMP9 P14780 1/20 0.55
MMP14 P50281 1/20 0.55

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
SCHEMBL4008628 1.00 MMP12 (0.60) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4010326 0.94 MMP12 (0.63) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4013336 0.94 MMP12 (0.63) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4010330 0.94 MMP12 (0.63) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4012643 0.90 MMP12 (0.74) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4009645 0.90 MMP12 (0.74) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3087913 0.86 MMP12 (0.79) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3087911 0.86 MMP12 (0.79) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4017358 0.86 MMP12 (0.79) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4009453 0.85 MMP12 (0.71) MMP12MMP13MMP2MMP3MMP9

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