SCHEMBL4551774

SCHEMBL4551774

CC(=O)Oc1ccc(C(=O)NCC(C)Oc2cc3cc(S(=O)(=O)NCP(=O)(O)Oc4ccc(C#N)c(C(F)(F)F)c4)sc3cc2OC(C)CNC(=O)c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 5/20 0.34
AR P10275 5/20 0.30

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
SCHEMBL3998872 0.92
SCHEMBL3480747 0.89 PLA2G7 (0.31) PLA2G7AR
SCHEMBL3996581 0.89 PLA2G7 (0.35) PLA2G7AR
SCHEMBL13021440 0.88 PLA2G7 (0.34) PLA2G7AR
SCHEMBL3480892 0.81
SCHEMBL13022832 0.80 PDE4A (0.32)
SCHEMBL13024340 0.80 EGLN1 (0.32)
SCHEMBL3480370 0.79 EGLN1 (0.31)
SCHEMBL12979721 0.78 AR (0.33) PLA2G7AR
SCHEMBL3997302 0.78

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-2024376-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-02-18 EP claimed
WO-2007139729-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2007-12-06 WO claimed