SCHEMBL2642097

SCHEMBL2642097

COC(=O)[C@@H]1CSCC[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A4 P31645 2/20 0.34
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL14593887 1.00 CHRM2 (0.35) CHRM2CHRM4CHRM3SLC6A4TSHR
SCHEMBL14593867 1.00 CHRM2 (0.35) CHRM2CHRM4CHRM3SLC6A4TSHR
SCHEMBL4263557 0.82 CHRM2 (0.34) CHRM2CHRM4CHRM3SLC6A4TSHR
SCHEMBL8969972 0.82 CHRM2 (0.34) CHRM2CHRM4CHRM3SLC6A4TSHR
SCHEMBL14593866 0.79 CHRM2 (0.34) CHRM2CHRM4CHRM3TSHRHTT
SCHEMBL68475 0.77 CHRM2 (0.38) CHRM2CHRM4CHRM3TSHRPPM1B
SCHEMBL5909392 0.75 SLC6A12 (0.32)
SCHEMBL5425052 0.74
SCHEMBL23921599 0.71 CHRM2 (0.47) CHRM2CHRM4CHRM3SLC6A4SMN1; SMN2
SCHEMBL262052 0.71 CHRM2 (0.43) CHRM2CHRM4CHRM3SLC6A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259166-B2 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1501815-B1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2006-11-22 EP disclosed
US-7105671-B2 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-09-12 US disclosed
US-20060178429-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators CORBETT WENDY L 2006-08-10 US disclosed
EP-1501815-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-02 EP disclosed
WO-2003095438-A9 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-12-23 WO disclosed
US-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators CORBETT WENDY LEA (US) 2003-12-04 US disclosed
WO-2003095438-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 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-20060178429-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators GCKR, GCK, PDXK CHRM2 3330/4885CHRM4 3264/4885CHRM3 3036/4885
US-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators GCKR, GCK, PDXK CHRM2 3330/4885CHRM4 3264/4885CHRM3 3036/4885

“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.