SCHEMBL2645971

SCHEMBL2645971

CSc1ccc([C@@H](CC2CCCC2)C(=O)O)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
APP P05067 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
KCNH2 Q12809 2/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
HRH3 Q9Y5N1 3/20 0.34
GCK P35557 2/20 0.33
ATM Q13315 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
KEAP1 Q14145 3/20 0.33
NFE2L2 Q16236 3/20 0.33

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
SCHEMBL2645969 1.00 TAS1R3 (0.36) TAS1R3TAS1R1APPPSEN1PSEN2
SCHEMBL1862495 0.97 APP (0.37) TAS1R3TAS1R1APPPSEN1PSEN2
SCHEMBL1862493 0.97 APP (0.37) TAS1R3TAS1R1APPPSEN1PSEN2
SCHEMBL2644937 0.86 APP (0.43) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2645517 0.86 APP (0.37) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2644883 0.86 APP (0.43) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1860472 0.84 GCK (0.39) TAS1R3TAS1R1GCK
SCHEMBL1860468 0.84 GCK (0.39) TAS1R3TAS1R1GCK
SCHEMBL1866180 0.84 APP (0.45) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1866177 0.84 APP (0.45) APPPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572670-B1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-08-22 EP disclosed
US-7132425-B2 5-substituted-six-membered heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-11-07 US disclosed
EP-1572670-A1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators CHEN SHAOQING (US) 2004-07-29 US disclosed
WO-2004052869-A1 5-SUBSTITUTED-PYRAZINE OR PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 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 (1 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-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators GCK, GCKR, GALK1 TAS1R3 3827/4885TAS1R1 3495/4885APP 4181/4885

“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.