SCHEMBL2652717

SCHEMBL2652717

CS(=O)(=O)c1ccc(C(OC2C=CCCC2)C(=O)O)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
GCK P35557 4/20 0.38
LMNA P02545 1/20 0.34
PTGDR Q13258 4/20 0.34
TBXA2R P21731 3/20 0.34
SLC6A3 Q01959 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
CXCR2 P25025 1/20 0.32
CNR2 P34972 1/20 0.32
CHRM1 P11229 1/20 0.32
PTGS1 P23219 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32

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
SCHEMBL2653133 0.89 SLC6A3 (0.41) KCNH2GCKLMNASLC6A3
SCHEMBL2653272 0.86 LMNA (0.43) LMNASLC6A3
SCHEMBL2653002 0.85 KCNH2 (0.44) KCNH2GCKLMNAPTGDRTBXA2R
SCHEMBL2651926 0.85 KCNH2 (0.39) KCNH2GCKLMNASLC6A3PIK3CD
SCHEMBL2652100 0.80 KCNH2 (0.53) KCNH2GCKLMNA
SCHEMBL6166444 0.80 LMNA (0.43) KCNH2GCKLMNA
SCHEMBL2652305 0.76 SLC6A3 (0.54) LMNASLC6A3
SCHEMBL2668923 0.75 KCNH2 (0.44) KCNH2GCKLMNASLC6A3PIK3CD
SCHEMBL2651736 0.75 LMNA (0.42) LMNASLC6A3
SCHEMBL2653506 0.74 SLC6A3 (0.48) KCNH2GCKLMNASLC6A3

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.