SCHEMBL3303035

SCHEMBL3303035

CC(C)Oc1cc(OCc2ccccc2)cc(C(=O)Nc2ccn(C(=O)O)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 19/20 0.67
RARA P10276 1/20 0.49
RARB P10826 1/20 0.49
RARG P13631 1/20 0.49
KCNH2 Q12809 1/20 0.46

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
SCHEMBL1146956 0.90 GCK (0.59) GCKRARARARB
SCHEMBL1426862 0.89 GCK (0.68) GCKKCNH2
SCHEMBL1427556 0.89 GCK (0.61) GCKRARARARBRARGKCNH2
SCHEMBL2920472 0.88 GCK (0.52) GCKRARARARB
SCHEMBL2657334 0.87 GCK (0.66) GCK
SCHEMBL2657129 0.84 GCK (0.48) GCKRARARARBRARGKCNH2
SCHEMBL2658013 0.83 GCK (0.60) GCK
SCHEMBL1426983 0.81 GCK (0.61) GCK
SCHEMBL12781914 0.81 GCK (0.61) GCKRARARARBKCNH2
SCHEMBL2667085 0.81 GCK (0.57) 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 3 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
US-20080153800-A1 NOVEL CRYSTALLINE COMPOUND ASTRAZENECA AB (SE) 2008-06-26 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-20080153800-A1 NOVEL CRYSTALLINE COMPOUND GCK, GCKR, GK GCK 1/4885RARA 3225/4885RARB 3643/4885
US-20100094009-A1 NOVEL CRYSTALLINE COMPOUND USEFUL AS GLK ACTIVATOR GCK, GCKR, GK GCK 1/4885RARA 3057/4885RARB 3651/4885

“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.