Sugi Predict

Sugi Predict / Compounds / SCHEMBL4012732

SCHEMBL4012732

SCHEMBL4012732

COC(=O)Nc1ccc2c(c1)oc1cc(S(=O)(=O)NC(C(=O)O)C(C)C)ccc12

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 19/20 1.00
▸ MMP2 P08253 1/20 0.90
▸ MMP3 P08254 1/20 0.90
▸ MMP9 P14780 1/20 0.90
▸ MMP14 P50281 1/20 0.90

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
SCHEMBL4013067 1.00 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4012410 1.00 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4012395 0.95 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL29988421 0.95 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4012924 0.95 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4009883 0.95 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4012390 0.95 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL29518647 0.95 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4010799 0.92 MMP12 (0.84) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4010800 0.92 MMP12 (0.84) 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