SCHEMBL2642633

SCHEMBL2642633

COC(=O)C(CC1CCC2(C1)OCCCO2)c1ccc(SC)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.37
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
C5AR1 P21730 1/20 0.32
OPRD1 P41143 2/20 0.32
GPR119 Q8TDV5 1/20 0.32
KCNH2 Q12809 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL2642542 0.91 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4C5AR1GPR119
SCHEMBL2642184 0.90 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4OPRD1
SCHEMBL2641989 0.85 KCNH2 (0.46) SLC6A3SLC6A2SLC6A4OPRD1KCNH2
SCHEMBL2645171 0.82 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4KCNH2
SCHEMBL2642370 0.81 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4
SCHEMBL1861857 0.80 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4KCNH2
SCHEMBL14145928 0.80 APP (0.31) OPRD1
SCHEMBL1861010 0.79 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4
SCHEMBL1856163 0.78 SLC6A3 (0.46) SLC6A3
SCHEMBL2642154 0.75 KCNH2 (0.49) SLC6A3SLC6A2SLC6A4C5AR1KCNH2

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 SLC6A3 3251/4885SLC6A2 3721/4885SLC6A4 3568/4885
US-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators GCKR, GCK, PDXK SLC6A3 3251/4885SLC6A2 3721/4885SLC6A4 3568/4885

“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.