SCHEMBL2644528

SCHEMBL2644528

C[C@@H](CO)COc1cc(C(=O)O)cc2c1CC(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.37
KDM4E B2RXH2 9/20 0.37
GAA P10253 8/20 0.37
HPGD P15428 5/20 0.37
GLA P06280 5/20 0.37
CASP1 P29466 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CASP7 P55210 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
GCK P35557 1/20 0.33
NPC1 O15118 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
NOD2 Q9HC29 1/20 0.32
POLB P06746 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
SCHEMBL2644532 1.00 ALDH1A1 (0.37) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL2643933 0.83 TSHR (0.43) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL2644471 0.80 KDM4E (0.35) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL2644915 0.79 GCK (0.36) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL644027 0.79 GCK (0.58) GCKNPC1
SCHEMBL2644213 0.79 IRAK4 (0.39) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL2643997 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL643590 0.78 MAOB (0.49) HPGDNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL642767 0.78 MAPT (0.41) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL2644681 0.76 GCK (0.39) ALDH1A1KDM4EGAAHPGDGLA

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 6 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
US-7842713-B2 Fused phenyl amido heterocyclic compounds PFIZER INC (US) 2010-11-30 US disclosed
EP-2010520-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES Pfizer Products Incorporated (US) 2009-01-07 EP disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 US disclosed
WO-2007122482-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2007-11-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS GCK, GCKR, HK1 ALDH1A1 1370/4885KDM4E 1790/4885GAA 139/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.