SCHEMBL2647248

SCHEMBL2647248

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
CHRM4 P08173 1/20 0.37
PTPRZ1 P23471 1/20 0.36
PDE2A O00408 9/20 0.36
ALDH1A1 P00352 1/20 0.35
GCK P35557 2/20 0.34
GCGR P47871 1/20 0.34
GIPR P48546 1/20 0.34
KIF11 P52732 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL3390971 0.88 FKBP1A (0.39) CHRM4GCK
SCHEMBL2645380 0.85 SLC6A3 (0.40) PTPRZ1PDE2AGCKSLC6A2SLC6A4
SCHEMBL2647907 0.82 APP (0.37) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2646654 0.82 KIF11 (0.40) CHRM4PTPRZ1PDE2AGCKKIF11
SCHEMBL2646161 0.82 AKR1C3 (0.40) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1107404 0.82 AKR1C3 (0.40) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2645839 0.82 PSEN1 (0.55) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2646653 0.81 GCK (0.38) PTPRZ1PDE2AGCKSLC6A2SLC6A4
SCHEMBL1858753 0.81 MAOA (0.36) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1858751 0.81 MAOA (0.36) 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 14 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
US-6528543-B1 Glucokinase activating for treating type II diabetes; acylurea compound, phenylacetyl-substituted; 1-(2-(3-chloro-phenyl)-3cyclopentyl-propionyl)-3-methyl-urea HOFFMAN-LA ROCHE INC. 2003-03-04 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 APP 2579/4885PSEN1 2982/4885PSEN2 1885/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK APP 2423/4885PSEN1 2915/4885PSEN2 1752/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK APP 2579/4885PSEN1 2982/4885PSEN2 1885/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK APP 2579/4885PSEN1 2982/4885PSEN2 1885/4885

“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.