SCHEMBL2653002

SCHEMBL2653002

CS(=O)(=O)c1ccc(C(OC2CCCC2)C(=O)O)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
GCK P35557 4/20 0.42
LMNA P02545 1/20 0.40
SLC6A3 Q01959 7/20 0.39
CNR2 P34972 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGDR Q13258 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 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
SCHEMBL2668923 0.90 KCNH2 (0.44) KCNH2GCKLMNASLC6A3CNR2
SCHEMBL1107292 0.88 KCNH2 (0.45) KCNH2GCKLMNASLC6A3CNR2
SCHEMBL2653506 0.88 SLC6A3 (0.48) KCNH2GCKLMNASLC6A3SLC6A2
SCHEMBL2652717 0.85 KCNH2 (0.39) KCNH2GCKLMNASLC6A3CNR2
SCHEMBL2651763 0.84 SLC6A3 (0.50) LMNASLC6A3SLC6A2SLC6A4
SCHEMBL2652746 0.83 KCNH2 (0.44) KCNH2GCKLMNASLC6A3CNR2
SCHEMBL2652881 0.83 LMNA (0.52) LMNASLC6A3CNR2SLC6A2SLC6A4
SCHEMBL2653474 0.78 KCNH2 (0.56) KCNH2GCKLMNA
SCHEMBL9071667 0.77 KCNH2 (0.39) KCNH2GCKLMNASLC6A3CNR2
SCHEMBL1171465 0.77 KCNH2 (0.63) KCNH2GCKTBXA2RPTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305301-B1 ALPHA-ACYL AND ALPHA-HETEROATOM-SUBSTITUTED BENZENE ACETAMIDE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-06-15 EP disclosed
US-6608218-B2 Such as 1-(cyclopentyloxy-(3,4-dichloro-phenyl)-acetyl)-3-methyl-urea for treatment of diabetes HOFFMANN-LA ROCHE INC. 2003-08-19 US disclosed
EP-1305301-A1 ALPHA-ACYL AND ALPHA-HETEROATOM-SUBSTITUTED BENZENE ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-02 EP disclosed
US-20020198200-A1 Alpha-acyl- and alpha-heteroatom-substituted benzene acetamide glucokinase activators KESTER ROBERT F (US) 2002-12-26 US disclosed
US-6486184-B2 1-(CYCLOPENTYLOXY-(3,4-DICHLORO- PHENYL)-ACETYL)-3-METHYL-UREA FOR EXAMPLE; USE IN TREATING HYPERGLYCEMIA CHARACTERISTIC OF ALL TYPE II DIABETES HOFFMANN-LA ROCHE INC. 2002-11-26 US disclosed
US-20020042512-A1 Alpha-acyl- and alpha-heteroatom-substituted benzene acetamide glucokinase activators KESTER ROBERT F (US) 2002-04-11 US disclosed
WO-2002008209-A1 ALPHA-ACYL AND ALPHA-HETEROATOM-SUBSTITUTED BENZENE ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 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 (2 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-20020042512-A1 Alpha-acyl- and alpha-heteroatom-substituted benzene acetamide glucokinase activators GCK, GCKR, ALDOA KCNH2 677/4885GCK 1/4885LMNA 4429/4885
US-20020198200-A1 Alpha-acyl- and alpha-heteroatom-substituted benzene acetamide glucokinase activators GCK, GCKR, ALDOA KCNH2 697/4885GCK 1/4885LMNA 4399/4885

“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.