SCHEMBL4014558

SCHEMBL4014558

COC(=O)Nc1cc2oc3ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc3c2cc1Br

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
SCHEMBL31490331 1.00 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4011256 1.00 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4010054 1.00 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL31490152 1.00 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4013307 0.92 MMP12 (0.86) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4013242 0.92 MMP12 (0.86) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4012390 0.84 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4012924 0.84 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4012395 0.84 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4011129 0.83 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 3 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
WO-2008057254-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-05-15 WO disclosed