SCHEMBL578302

SCHEMBL578302

C[Si](C)(C)C#Cc1csc(C(=O)O)n1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.33
PLA2G4A P47712 1/20 0.32
L3MBTL1 Q9Y468 1/20 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
SCHEMBL22610105 0.78 GRM5 (0.35) GRM5
SCHEMBL6858302 0.72 GRM5 (0.36) GRM5
SCHEMBL1243386 0.72 GRM5 (0.56) GRM5
SCHEMBL4150082 0.71 GRM5 (0.46) GRM5L3MBTL1
SCHEMBL3901343 0.70 GRM5 (0.33) GRM5
SCHEMBL31292025 0.69 L3MBTL1 (0.47) GRM5PLA2G4AL3MBTL1
SCHEMBL31487982 0.68 GRM5 (0.33) GRM5
SCHEMBL592502 0.68 GRM5 (0.45) GRM5L3MBTL1
SCHEMBL128971 0.67
SCHEMBL5048867 0.66 ECE1 (0.42) PLA2G4AL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed