SCHEMBL6001804

SCHEMBL6001804

O=C(O)Cn1c(OC(=O)O)cc2cc(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)ccc21

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
AKR1B1 P15121 1/20 0.32
PLA2G4A P47712 1/20 0.31

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
SCHEMBL6002281 0.83 CCR2 (0.41) L3MBTL1PLA2G4A
SCHEMBL6002268 0.79 MAPK1 (0.38) L3MBTL1PTGDR2
SCHEMBL6001797 0.78 CACNA1B (0.38)
SCHEMBL6002238 0.70 CACNA1B (0.40)
SCHEMBL6002331 0.69 MEN1 (0.42) L3MBTL1
SCHEMBL6002334 0.68 SMN1; SMN2 (0.39) PTGDR2AKR1B1
SCHEMBL6002292 0.65 SERPINE1 (0.48)
SCHEMBL6002233 0.63 ECE1 (0.43)
SCHEMBL6001713 0.61 SERPINE1 (0.49)
SCHEMBL9243077 0.61 CCR2 (0.47)

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-1212296-B9 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2006-05-10 EP claimed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP claimed