SCHEMBL2657129

SCHEMBL2657129

CC(C)Oc1cc(O)cc(C(=O)Nc2ccn(C(=O)O)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 20/20 0.48
KCNH2 Q12809 2/20 0.48
RARA P10276 1/20 0.45
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45

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
SCHEMBL1146538 0.87 GCK (0.59) GCKKCNH2
SCHEMBL1427182 0.87 GCK (0.46) GCKKCNH2RARARARBRARG
SCHEMBL1427233 0.86 GCK (0.63) GCKKCNH2
SCHEMBL2906565 0.85 GCK (0.48) GCKKCNH2
SCHEMBL3303035 0.84 GCK (0.67) GCKKCNH2RARARARBRARG
SCHEMBL2901755 0.76 GCK (0.69) GCKKCNH2
SCHEMBL3342969 0.76 GCK (0.54) GCKKCNH2
SCHEMBL2667095 0.76 GCK (0.54) GCKKCNH2
SCHEMBL2899089 0.76 GCK (0.69) GCKKCNH2
SCHEMBL1427114 0.76 GCK (0.54) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100094009-A1 NOVEL CRYSTALLINE COMPOUND USEFUL AS GLK ACTIVATOR ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-7696191-B2 Crystalline compound ASTRAZENECA AB (SE) 2010-04-13 US disclosed
EP-2121666-A1 NOVEL CRYSTALLINE COMPOUND USEFUL AS GLK ACTIVATOR AstraZeneca AB (SE) 2009-11-25 EP disclosed
US-20080153800-A1 NOVEL CRYSTALLINE COMPOUND ASTRAZENECA AB (SE) 2008-06-26 US disclosed
WO-2008075073-A1 NOVEL CRYSTALLINE COMPOUND USEFUL AS GLK ACTIVATOR ASTRAZENECA AB (SE) 2008-06-26 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 (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-20080153800-A1 NOVEL CRYSTALLINE COMPOUND GCK, GCKR, GK GCK 1/4885KCNH2 621/4885RARA 3225/4885
US-20100094009-A1 NOVEL CRYSTALLINE COMPOUND USEFUL AS GLK ACTIVATOR GCK, GCKR, GK GCK 1/4885KCNH2 679/4885RARA 3057/4885

“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.