SCHEMBL642424

SCHEMBL642424

C=CCOc1cc(O)cc(C(=O)OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA7 P43166 3/20 0.56
CA9 Q16790 3/20 0.56
CA14 Q9ULX7 3/20 0.56
KAT6A Q92794 3/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
NFKB1 P19838 1/20 0.42
XDH P47989 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC5A1 P13866 1/20 0.42

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
SCHEMBL644117 0.91 MAPT (0.44) CA12CA1CA2CA7CA9
SCHEMBL20395893 0.91 MAPT (0.44) CA12CA1CA2CA7CA9
Hydrogen Sulfide SCHEMBL20395882 0.89 MAPT (0.43) CA12CA1CA2CA7CA9
SCHEMBL644523 0.86 CA1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL2525888 0.85 FFAR1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL2527989 0.85 CREBBP (0.41) CA12CA1CA2CA7CA9
SCHEMBL4878299 0.85 KAT6A (0.51) CA12CA1CA2CA7CA9
SCHEMBL2528357 0.84 NPC1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL642253 0.84 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL5228091 0.84 ADRB2 (0.40) CA12CA1CA2CA7CA9

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463283-B1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases PFIZER PROD INC (US) 2014-06-11 EP disclosed
EP-2463283-B1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases PFIZER PROD INC (US) 2014-06-11 EP disclosed
US-8404216-B2 Dendritic chelated compounds, methods for making the same and pharmaceutical compositions containing the same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-03-26 US disclosed
US-8404216-B2 Dendritic chelated compounds, methods for making the same and pharmaceutical compositions containing the same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-03-26 US disclosed
EP-2010520-B1 HETEROBICYCLIC AMIDES FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PROD INC (US) 2012-09-12 EP disclosed
EP-2010520-B1 HETEROBICYCLIC AMIDES FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PROD INC (US) 2012-09-12 EP disclosed
US-20120220590-A1 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS KAROBIOAB (SE) 2012-08-30 US disclosed
US-20120220590-A1 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS KAROBIOAB (SE) 2012-08-30 US disclosed
US-20120220590-A1 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS KAROBIOAB (SE) 2012-08-30 US disclosed
EP-2463283-A1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases Pfizer Products Inc. (US) 2012-06-13 EP disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 US disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 US disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 US disclosed
EP-1968954-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2007122482-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2007-11-01 WO disclosed
WO-2007122482-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2007-11-01 WO disclosed
WO-2007077004-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 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-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS GCK, GCKR, HK1 CA12 3102/4885CA1 1547/4885CA2 574/4885
US-20120220590-A1 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS NR3C1, NR3C2, MC2R CA12 4186/4885CA1 4288/4885CA2 3969/4885
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP CA12 500/4885CA1 151/4885CA2 184/4885

“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.