SCHEMBL2647085

SCHEMBL2647085

CCOC(=O)C(CC1CCCC1)c1ccc(SC)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
KCNH2 Q12809 2/20 0.39
GCK P35557 2/20 0.35
APP P05067 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL2645171 0.90 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4KCNH2GCK
SCHEMBL2644883 0.86 APP (0.43) SLC6A3KCNH2GCKAPPPSEN1
SCHEMBL2644937 0.86 APP (0.43) SLC6A3KCNH2GCKAPPPSEN1
SCHEMBL2646003 0.84 AKR1C3 (0.36) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1866180 0.83 APP (0.45) SLC6A3KCNH2GCKAPPPSEN1
SCHEMBL1866177 0.83 APP (0.45) SLC6A3KCNH2GCKAPPPSEN1
SCHEMBL2645933 0.81 KCNH2 (0.59) SLC6A3SLC6A2SLC6A4KCNH2GCK
SCHEMBL2646980 0.80 L3MBTL1 (0.44) SLC6A3SLC6A2SLC6A4
SCHEMBL2642370 0.80 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4GCK
SCHEMBL2646806 0.79 MEN1 (0.43) SLC6A3SLC6A2SLC6A4

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
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
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 SLC6A3 2912/4885SLC6A2 3521/4885SLC6A4 3061/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK SLC6A3 2901/4885SLC6A2 3448/4885SLC6A4 3038/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK SLC6A3 2912/4885SLC6A2 3521/4885SLC6A4 3061/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK SLC6A3 2912/4885SLC6A2 3521/4885SLC6A4 3061/4885

“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.