SCHEMBL2646825

SCHEMBL2646825

O=C(O)C(CC1CCCC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
EPHX2 P34913 4/20 0.43
EPHX1 P07099 1/20 0.43
APP P05067 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
CTSS P25774 12/20 0.42
CTSL P07711 10/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
CTSK P43235 7/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL2404205 0.82 EPHX1 (0.44) KDM4EALDH1A1POLBEPHX2EPHX1
SCHEMBL2646192 0.82 EPHX2 (0.48) ALDH1A1POLBEPHX2
SCHEMBL2645839 0.82 PSEN1 (0.55) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2647518 0.81 NPY5R (0.53) ALDH1A1EPHX1CTSSCTSLPPARG
SCHEMBL21484760 0.79 KDM4E (0.47) KDM4EALDH1A1POLBEPHX2EPHX1
SCHEMBL2647248 0.78 APP (0.41) ALDH1A1APPPSEN1PSEN2APH1B
SCHEMBL1418768 0.78 CYP2C19 (0.47) KDM4EPOLBEPHX2
SCHEMBL1418773 0.78 CYP2C19 (0.47) KDM4EPOLBEPHX2
SCHEMBL1201905 0.78 APP (0.45) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2645119 0.77 GCK (0.43) APPPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203207-A1 Heteroaromatic glucokinase activators BIZZARRO FRED T 2007-08-30 US disclosed
US-7223868-B2 Such as 2-(3-chloro-phenyl)-3-cyclopentyl-N-thiazol-2-yl-propionamide which increases insulin secretion in treatment of type II diabetes HOFFMANN-LA ROCHE INC. (US) 2007-05-29 US disclosed
US-20050261503-A1 Heteroaromatic glucokinase activators BIZZARO FRED T 2005-11-24 US disclosed
US-6951945-B2 Heteroaromatic glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-10-04 US disclosed
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed
CN-1151140-C Glucokinase activators - 2004-05-26 CN disclosed
US-20040014968-A1 Heteroaromatic glucokinase activators BIZZARRO FRED THOMAS (US) 2004-01-22 US disclosed
US-6610846-B1 Increase insulin secretion; type II diabetes; 2,3-Di-substituted N-heteroaromatic propionamides with 3- a phenyl group and 2- a methyl cycloalkyl ring; 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-pyridazin-3-yl-propionamide HOFFMAN-LA ROCHE INC. 2003-08-26 US disclosed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 CN disclosed
US-6320050-B1 2-SUBSTITUTED PHENYL-3-CYCLOALKYL SUBSTITUTED N-HETEROAROMATIC PROPIONAMIDES; USED TO INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES. HOFFMANN-LA ROCHE INC. 2001-11-20 US disclosed
US-20010039344-A1 Heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. 2001-11-08 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 (4 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-20040014968-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KDM4E 2379/4885ALDH1A1 3347/4885POLB 1856/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KDM4E 3241/4885ALDH1A1 3111/4885POLB 1803/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KDM4E 2379/4885ALDH1A1 3347/4885POLB 1856/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KDM4E 2379/4885ALDH1A1 3347/4885POLB 1856/4885

“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.