SCHEMBL2084645

SCHEMBL2084645

COC(=O)c1cc(OC(C)C)cc(O[C@@H](C)Cc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.59
RARA P10276 1/20 0.51
RARB P10826 1/20 0.51
CNR2 P34972 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
SLC7A5 Q01650 1/20 0.45
TSHR P16473 1/20 0.44
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
IGLV6-57 P01721 1/20 0.43
HIF1A Q16665 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL1107444 0.90 GCK (0.62) GCKRARARARBLMNAHPGD
SCHEMBL1107685 0.90 GCK (0.62) GCKRARARARBLMNAHPGD
SCHEMBL2086735 0.90 GCK (0.62) GCKRARARARBLMNAHPGD
SCHEMBL2656262 0.88 LMNA (0.56) GCKRARARARBLMNAHPGD
SCHEMBL2086439 0.87 GCK (0.66) GCKRARARARBCNR2IGLV6-57
SCHEMBL27740832 0.87 GCK (0.66) GCKRARARARBCNR2IGLV6-57
SCHEMBL1427184 0.85 GCK (0.61) GCKLMNAHPGD
SCHEMBL1107694 0.82 CA1 (0.50) LMNACA1CA2TSHR
SCHEMBL1261462 0.82 GCK (0.57) GCKLMNATSHRPPARA
SCHEMBL1796232 0.81 HSD17B10 (0.47) GCKLMNACA1CA2PPARG

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
US-20110059941-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B] PYRIDINE/PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2011-03-10 US disclosed
US-20110059941-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B] PYRIDINE/PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2011-03-10 US disclosed
US-20110059941-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B] PYRIDINE/PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2011-03-10 US disclosed
WO-2006125958-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4 , 5B] PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2006-11-30 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-20110059941-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B] PYRIDINE/PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS GCK, PDXK, GCKR GCK 1/4885RARA 2660/4885RARB 2549/4885

“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.