SCHEMBL2651663

SCHEMBL2651663

COC(=O)C(S)(c1ccc(Cl)c(Cl)c1)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.45
SMN1; SMN2 Q16637 1/20 0.40
MCHR1 Q99705 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SSTR4 P31391 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
SSTR3 P32745 1/20 0.39

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
SCHEMBL9899952 0.72 SSTR4 (0.42) SLC6A3SSTR4TAS1R3TAS1R2SSTR3
SCHEMBL1627157 0.72 CNR1 (0.51) SLC6A3SMN1; SMN2MCHR1SLC6A2SSTR4
SCHEMBL10789216 0.72 SMN1; SMN2 (0.47) SLC6A3SMN1; SMN2MCHR1SLC6A2SSTR4
SCHEMBL3170901 0.72 SMN1; SMN2 (0.47) SLC6A3SMN1; SMN2MCHR1SLC6A2SSTR4
SCHEMBL27932320 0.71 SMN1; SMN2 (0.46) SMN1; SMN2MCHR1SSTR4
SCHEMBL2646811 0.69 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4SSTR4TAS1R3
SCHEMBL3553408 0.68 CHRM3 (0.48) SLC6A3SMN1; SMN2SLC6A2SLC6A4
SCHEMBL11001322 0.68 SMN1; SMN2 (0.43) SLC6A3SMN1; SMN2MCHR1SLC6A2SSTR4
SCHEMBL2645908 0.66 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4SSTR4SSTR3
SCHEMBL296610 0.65 SSTR4 (0.40) SMN1; SMN2MCHR1SSTR4

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 SLC6A3 2221/4885SMN1; SMN2 4065/4885MCHR1 4773/4885
US-20020198200-A1 Alpha-acyl- and alpha-heteroatom-substituted benzene acetamide glucokinase activators GCK, GCKR, ALDOA SLC6A3 2178/4885SMN1; SMN2 4204/4885MCHR1 4775/4885

“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.