SCHEMBL1633974

SCHEMBL1633974

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ACE P12821 2/20 0.46
GAA P10253 1/20 0.44
ELANE P08246 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
EPHX1 P07099 1/20 0.41
MAPT P10636 3/20 0.40
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
HTT P42858 1/20 0.38
LDHA P00338 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1632949 0.90 PPARG (0.46) PPARGPPARAACEGAAELANE
SCHEMBL1277672 0.85 PPARG (0.60) PPARGPPARAACEGAAALDH1A1
SCHEMBL1277670 0.85 PPARG (0.60) PPARGPPARAACEGAAALDH1A1
SCHEMBL1277919 0.82 IDO1 (0.46) PPARGPPARAACEGAAELANE
SCHEMBL1277918 0.82 IDO1 (0.46) PPARGPPARAACEGAAELANE
SCHEMBL1633922 0.81 GAA (0.50) PPARGPPARAACEGAAALDH1A1
SCHEMBL1632933 0.80 ACE (0.46) PPARGPPARAACEGAAALDH1A1
SCHEMBL1634040 0.78 ACE (0.56) PPARGPPARAACEGAAALDH1A1
SCHEMBL1633137 0.77 GAA (0.47) PPARGPPARAACEGAAALDH1A1
SCHEMBL1632958 0.75 ACE (0.66) PPARGPPARAACEGAALDHA

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

“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.