SCHEMBL1634040

SCHEMBL1634040

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.56
PPARG P37231 2/20 0.53
PPARA Q07869 2/20 0.53
GAA P10253 1/20 0.49
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 1/20 0.44
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL1632958 0.89 ACE (0.66) ACEPPARGPPARAGAA
SCHEMBL22773803 0.83 ACE (0.60) ACEPPARGPPARAGAA
SCHEMBL22773802 0.83 ACE (0.60) ACEPPARGPPARAGAA
SCHEMBL22773795 0.83 ACE (0.60) ACEPPARGPPARAGAA
SCHEMBL22773796 0.83 ACE (0.60) ACEPPARGPPARAGAA
SCHEMBL3031211 0.82 PPARG (0.74) ACEPPARGPPARAALDH1A1MAPT
SCHEMBL1277840 0.82 PPARG (0.74) ACEPPARGPPARAALDH1A1MAPT
SCHEMBL1277844 0.82 PPARG (0.74) ACEPPARGPPARAALDH1A1MAPT
SCHEMBL1277641 0.81 KIF11 (0.55) ACEPPARGPPARAGAAALDH1A1
SCHEMBL1277636 0.81 KIF11 (0.55) ACEPPARGPPARAGAAALDH1A1

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 ACE 729/4885PPARG 1086/4885PPARA 1986/4885
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCK, GCKR, HK1 ACE 521/4885PPARG 806/4885PPARA 1426/4885

“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.