SCHEMBL2086683

SCHEMBL2086683

COC[C@H](C)Oc1cc(Oc2ccc(C#N)cc2)cc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 18/20 0.56
RARG P13631 1/20 0.50
KCNH2 Q12809 4/20 0.46
RARA P10276 1/20 0.45
RARB P10826 1/20 0.45
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44

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
SCHEMBL2086667 0.89 GCK (0.50) GCKRARGKCNH2PARP15PARP10
SCHEMBL1262369 0.88 GCK (0.69) GCKRARGKCNH2RARARARB
SCHEMBL1107704 0.86 GCK (0.68) GCKRARGKCNH2RARARARB
SCHEMBL1261335 0.85 GCK (0.59) GCKRARGKCNH2RARARARB
SCHEMBL9072506 0.85 GCK (0.46) GCKRARGKCNH2
SCHEMBL1107657 0.84 GCK (0.48) GCKRARGRARARARB
SCHEMBL1107734 0.83 GCK (0.57) GCKRARGRARARARB
SCHEMBL17934003 0.82 GCK (0.65) GCKRARGKCNH2RARARARB
SCHEMBL1107440 0.82 GCK (0.71) GCKKCNH2
SCHEMBL1263044 0.82 GCK (0.55) GCKRARGKCNH2

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 3 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

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 1/4885RARG 2730/4885KCNH2 438/4885

“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.