SCHEMBL2645839

SCHEMBL2645839

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.55
PSEN2 P49810 3/20 0.55
APH1B Q8WW43 3/20 0.55
NCSTN Q92542 3/20 0.55
APH1A Q96BI3 3/20 0.55
PSENEN Q9NZ42 3/20 0.55
APP P05067 2/20 0.55
DPEP1 P16444 1/20 0.46
LDHA P00338 2/20 0.43
LDHB P07195 2/20 0.43
LIPC P11150 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
PDPK1 O15530 1/20 0.39
CNR2 P34972 1/20 0.39
GRM8 O00222 1/20 0.39
GRM4 Q14833 1/20 0.39

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
SCHEMBL1861636 0.83 EPHX1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1861639 0.83 EPHX1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2646825 0.82 KDM4E (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2647248 0.82 APP (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1418768 0.81 CYP2C19 (0.47)
SCHEMBL1418773 0.81 CYP2C19 (0.47)
SCHEMBL2645119 0.81 GCK (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2408900 0.81 TEAD1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4596191 0.80 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2650598 0.80 DPEP1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A

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 13 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
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP 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
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 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 (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 PSEN1 2982/4885PSEN2 1885/4885APH1B 3314/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK PSEN1 2915/4885PSEN2 1752/4885APH1B 3214/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK PSEN1 2982/4885PSEN2 1885/4885APH1B 3314/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK PSEN1 2982/4885PSEN2 1885/4885APH1B 3314/4885

“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.