SCHEMBL2645331

SCHEMBL2645331

COC(=O)C(CC1CCCC1)c1ccc(SC)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
POLB P06746 1/20 0.36
KCNH2 Q12809 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL2645517 0.87 APP (0.37) SLC6A3SLC6A2SLC6A4KCNH2RAB9A
SCHEMBL2645171 0.86 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4KCNH2L3MBTL1
SCHEMBL2649238 0.85 AKR1C3 (0.35) SLC6A3KCNH2
SCHEMBL2647285 0.81 KCNH2 (0.48) SLC6A3POLBKCNH2
SCHEMBL2645258 0.80 ESR1 (0.40) SLC6A3RAB9AL3MBTL1
SCHEMBL2645875 0.80 POLB (0.46) SLC6A3POLBRAB9ANPC1KMT2A
SCHEMBL1865642 0.77 GCK (0.38)
SCHEMBL2646483 0.77 TAS1R3 (0.43) KCNH2
SCHEMBL2648102 0.77 KCNH2 (0.45) SLC6A3SLC6A2SLC6A4KCNH2L3MBTL1
SCHEMBL2648746 0.77 SLC6A3 (0.62) SLC6A3SLC6A2SLC6A4KCNH2

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 23 patents — showing the first 20. 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
EP-1341774-B1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2006-02-01 EP 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
EP-1341774-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-09-10 EP 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-6545155-B2 Useful for increasing insulin secretion in the treatment of type II diabetes HOFFMANN-LA ROCHE INC. 2003-04-08 US disclosed
US-20020111372-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS CORBETT WENDY L (US) 2002-08-15 US disclosed
US-6433188-B1 ANTIDIABETIC AGENTS CORBETT WENDY LEA (US) 2002-08-13 US disclosed
US-20020107396-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS CORBETT WENDY LEA (US) 2002-08-08 US disclosed
US-20020103199-A1 Fused heteroaromatic glucokinase activators CORBETT WENDY LEA (US) 2002-08-01 US disclosed
US-20020103241-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS CORBETT WENDY L (US) 2002-08-01 US disclosed
WO-2002046173-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 WO 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 (8 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-20020111372-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 SLC6A3 2924/4885SLC6A2 3377/4885SLC6A4 3229/4885
US-20040014968-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK SLC6A3 2912/4885SLC6A2 3521/4885SLC6A4 3061/4885
US-20020103199-A1 Fused heteroaromatic glucokinase activators GCKR, GCK, GPR119 SLC6A3 2924/4885SLC6A2 3377/4885SLC6A4 3229/4885
US-20020107396-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 SLC6A3 2924/4885SLC6A2 3377/4885SLC6A4 3229/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK SLC6A3 2901/4885SLC6A2 3448/4885SLC6A4 3038/4885
US-20020103241-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 SLC6A3 2924/4885SLC6A2 3377/4885SLC6A4 3229/4885
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.