SCHEMBL2088534

SCHEMBL2088534

COCC(C)Oc1cc(O)cc(C(=O)OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
GCK P35557 14/20 0.44
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.41
XDH P47989 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
FUT7 Q11130 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RARA P10276 1/20 0.41

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
SCHEMBL1426494 1.00 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL320646 1.00 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL2175603 0.91 GCK (0.47) CA12CA1CA2CA7CA9
SCHEMBL1107633 0.91 GCK (0.50) CA12CA1CA2CA7CA9
SCHEMBL1107705 0.87 GCK (0.48) CA1CA2GCKKDM4EGAA
SCHEMBL1042110 0.87 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL320803 0.87 GCK (0.50) CA12CA1CA2CA7CA9
SCHEMBL12774009 0.87 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL2654383 0.87 GCK (0.50) CA12CA1CA2CA7CA9
SCHEMBL1107701 0.87 GCK (0.56) GCKRARARARBGRM5RARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016112863-A1 N-SUBSTITUTED-3,5-DISUBSTITUTED BENZAMIDE COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF 中国科学院上海药物研究所 2016-07-21 WO disclosed
US-8450494-B2 Disubstituted benzamide derivatives as glucokinase (GK) activators CADILA HEALTHCARE LIMITED (IN) 2013-05-28 US disclosed
US-8236824-B2 N-(pyrazole-3-yl)-benzamide derivatives as glucokinase activators MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-08-07 US disclosed
US-20120149704-A1 DISUBSTITUTED BENZAMIDE DERIVATIVES AS GLUCOKINASE (GK) ACTIVATORS CADILA HEALTHCARE LIMITED (IN) 2012-06-14 US disclosed
EP-2445908-A1 DISUBSTITUTED BENZAMIDE DERIVATIVES AS GLUCOKINASE (GK) ACTIVATORS Cadila Healthcare Limited (IN) 2012-05-02 EP disclosed
WO-2012007758-A2 PHARMACEUTICAL FORMULATIONS ASTRAZENECA AB (SE) 2012-01-19 WO 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-2010150280-A1 DISUBSTITUTED BENZAMIDE DERIVATIVES AS GLUCOKINASE (GK) ACTIVATORS CADILA HEALTHCARE LIMITED (IN) 2010-12-29 WO disclosed
US-20100210690-A1 N-(PYRAZOLE-3-YL)-BENZAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-19 US disclosed
EP-2078000-A1 BENZOYL AMINO HETEROCYCLYL COMPOUNDS AS GLUCOKINASE (GLK) ACTIVATORS AstraZeneca AB (SE) 2009-07-15 EP disclosed
EP-2048137-A1 Benzamide derivatives and their use as glucokinase activating agents. AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008050117-A1 BENZOYL AMINO HETEROCYCLYL COMPOUNDS AS GLUCOKINASE (GLK) ACTIVATORS ASTRAZENECA AB (SE) 2008-05-02 WO disclosed
EP-1902052-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES AstraZeneca AB (SE) 2008-03-26 EP disclosed
EP-1891069-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B]PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2007007041-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2007-01-18 WO 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 (3 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-20100210690-A1 N-(PYRAZOLE-3-YL)-BENZAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS GCKR, HK1, GCK CA12 4873/4885CA1 4661/4885CA2 2996/4885
US-20120149704-A1 DISUBSTITUTED BENZAMIDE DERIVATIVES AS GLUCOKINASE (GK) ACTIVATORS GCKR, GCK, GK CA12 3288/4885CA1 3807/4885CA2 783/4885
US-20110059941-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B] PYRIDINE/PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS GCK, PDXK, GCKR CA12 4523/4885CA1 4220/4885CA2 2091/4885

“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.