SCHEMBL1633922

SCHEMBL1633922

CN[C@@H](CSCc1ccc(OC)cc1)CC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
ACE P12821 2/20 0.48
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
MAPT P10636 1/20 0.45
TP53 P04637 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
HTT P42858 1/20 0.41
LDHA P00338 1/20 0.41
EPHX1 P07099 1/20 0.40

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
SCHEMBL1277994 0.83 GAA (0.52) GAAACEPPARGPPARAMAPT
SCHEMBL3748392 0.83 GAA (0.52) GAAACEPPARGPPARAMAPT
SCHEMBL3021211 0.83 GAA (0.52) GAAACEPPARGPPARAMAPT
SCHEMBL1632933 0.83 ACE (0.46) GAAACEPPARGPPARAMAPT
SCHEMBL1277888 0.83 PPARG (0.62) GAAACEPPARGPPARAMAPT
SCHEMBL1277885 0.83 PPARG (0.62) GAAACEPPARGPPARAMAPT
Hydrochloric Acid SCHEMBL1277991 0.82 GAA (0.51) GAAACEPPARGPPARAMAPT
Hydrochloric Acid SCHEMBL1277995 0.82 GAA (0.51) GAAACEPPARGPPARAMAPT
SCHEMBL1633974 0.81 PPARG (0.46) GAAACEPPARGPPARAMAPT
SCHEMBL1633137 0.80 GAA (0.47) GAAACEPPARGPPARAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 US disclosed
US-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG CHEM, LTD. (KR) 2012-04-12 US disclosed
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2010-10-21 US 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-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCKR, GCK, GALK1 GAA 51/4885ACE 729/4885PPARG 1086/4885
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCK, GCKR, HK1 GAA 50/4885ACE 521/4885PPARG 806/4885

“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.