SCHEMBL9902848

SCHEMBL9902848

CS(=O)(=O)c1ccc(Oc2cc(C(=O)O)cc3oc(C=O)cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.49
KCNH2 Q12809 2/20 0.49
PTGS2 P35354 2/20 0.43
SLC6A4 P31645 1/20 0.37
HAO1 Q9UJM8 1/20 0.36
AKR1C3 P42330 1/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TTR P02766 1/20 0.34
SCN9A Q15858 1/20 0.33

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
SCHEMBL643528 0.86 GCK (0.48) GCKKCNH2PTGS2SLC6A4POLB
SCHEMBL644656 0.82 GCK (0.49) GCKKCNH2PTGS2SLC6A4HAO1
SCHEMBL12096277 0.81 GCK (0.48) GCKKCNH2PTGS2SLC6A4HAO1
SCHEMBL9902275 0.81 MRGPRX4 (0.38) GCKKCNH2POLBL3MBTL1TTR
SCHEMBL643936 0.81 GCK (0.48) GCKKCNH2PTGS2SLC6A4HAO1
SCHEMBL9903102 0.81 GCK (0.48) GCKKCNH2PTGS2SLC6A4HAO1
SCHEMBL2645481 0.79 GCK (0.46) GCKKCNH2PTGS2SLC6A4HAO1
SCHEMBL644143 0.76 POLB (0.44) GCKKCNH2PTGS2SLC6A4HAO1
SCHEMBL645021 0.74 GCK (0.49) GCKKCNH2PTGS2POLB
SCHEMBL2644024 0.74 PTGS2 (0.43) GCKKCNH2PTGS2SLC6A4HAO1

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-2463283-B1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases PFIZER PROD INC (US) 2014-06-11 EP disclosed
EP-2463283-A1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases Pfizer Products Inc. (US) 2012-06-13 EP disclosed