Sugi Predict

Sugi Predict / Compounds / SCHEMBL4014840

SCHEMBL4014840

SCHEMBL4014840

CC(C)[C@@H](NS(=O)(=O)c1ccc2oc3cc(NS(=O)(=O)c4ccccc4)ccc3c2c1)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 19/20 1.00
▸ MMP2 P08253 1/20 0.67
▸ MMP3 P08254 1/20 0.67
▸ MMP9 P14780 1/20 0.67
▸ MMP14 P50281 1/20 0.67

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
SCHEMBL4018048 0.90 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4013141 0.90 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4010034 0.89 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4012631 0.86 MMP12 (0.79) MMP12MMP13MMP2MMP3MMP9
SCHEMBL27540153 0.86 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4432986 0.86 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4011024 0.86 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4012678 0.85 MMP12 (0.92) MMP12MMP13MMP2MMP3MMP9
SCHEMBL6340424 0.85 MMP12 (0.80) MMP12MMP13
SCHEMBL4012924 0.84 MMP12 (1.00) 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