SCHEMBL2664638

SCHEMBL2664638

CC(C)COc1cc(OC(C)C)cc(C(=O)Nc2ccn(C)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 20/20 0.64
▸ RARA P10276 1/20 0.64
▸ RARB P10826 1/20 0.64
▸ RARG P13631 1/20 0.64
▸ KCNH2 Q12809 3/20 0.61

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
SCHEMBL1426862 0.85 GCK (0.68) GCKKCNH2
SCHEMBL1427233 0.84 GCK (0.63) GCKKCNH2
SCHEMBL2664644 0.82 GCK (0.69) GCKRARARARBRARGKCNH2
SCHEMBL12579106 0.81 GCK (0.64) GCKKCNH2
SCHEMBL2659624 0.81 GCK (0.76) GCKRARARARBRARGKCNH2
SCHEMBL12579451 0.81 GCK (0.64) GCKKCNH2
SCHEMBL12615704 0.81 GCK (0.70) GCKKCNH2
SCHEMBL12579748 0.81 GCK (0.61) GCKKCNH2
SCHEMBL13703970 0.80 GCK (0.70) GCKRARARARBRARG
SCHEMBL12021584 0.79 GCK (0.70) GCKKCNH2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951830-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2011-05-31 — — US disclosed
US-7951830-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2011-05-31 — — US disclosed
US-20090227592-A1 COMPOUNDS EFFECTING GLUCOKINASE ASTRAZENECA AB (SE) 2009-09-10 — — US disclosed
US-20090227592-A1 COMPOUNDS EFFECTING GLUCOKINASE ASTRAZENECA AB (SE) 2009-09-10 — — US disclosed
US-7524957-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2009-04-28 — — US disclosed
US-7524957-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2009-04-28 — — US disclosed
US-20080207636-A1 Compounds Effecting Glucokinase ASTRAZENECA AB (SE) 2008-08-28 — — US disclosed
US-20080207636-A1 Compounds Effecting Glucokinase ASTRAZENECA AB (SE) 2008-08-28 — — US disclosed
US-7390908-B2 Such as 2-[3,5-Di(2-chlorobenzyloxy)benzoyl)amino]-thiazole; for treatment of diabetes ASTRAZENECA AB (SE) 2008-06-24 — — US disclosed
US-7390908-B2 Such as 2-[3,5-Di(2-chlorobenzyloxy)benzoyl)amino]-thiazole; for treatment of diabetes ASTRAZENECA AB (SE) 2008-06-24 — — 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 (2 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-20080207636-A1 Compounds Effecting Glucokinase GCKR, GCK, SLC5A2 GCK 2/4885RARA 3925/4885RARB 3902/4885
US-20090227592-A1 COMPOUNDS EFFECTING GLUCOKINASE GCKR, GCK, SLC5A2 GCK 2/4885RARA 3925/4885RARB 3902/4885

“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.

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