SCHEMBL5728890

SCHEMBL5728890

C=CCOC(=O)c1ccc(SC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.47
GSTM2 P28161 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
PPARG P37231 8/20 0.39
PPARA Q07869 8/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
PPARD Q03181 2/20 0.39
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
AAK1 Q2M2I8 1/20 0.35

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
SCHEMBL5969068 1.00 GSTP1 (0.47) GSTP1GSTM2SMN1; SMN2PPARGPPARA
SCHEMBL5969067 1.00 GSTP1 (0.47) GSTP1GSTM2SMN1; SMN2PPARGPPARA
SCHEMBL5969083 0.94 PPARA (0.46) GSTP1GSTM2SMN1; SMN2PPARGPPARA
SCHEMBL5969070 0.94 PPARA (0.46) GSTP1GSTM2SMN1; SMN2PPARGPPARA
SCHEMBL5728924 0.94 PPARA (0.46) GSTP1GSTM2SMN1; SMN2PPARGPPARA
SCHEMBL5729106 0.86 GSTP1 (0.59) GSTP1GSTM2SMN1; SMN2PPARGPPARA
SCHEMBL5969060 0.86 GSTP1 (0.59) GSTP1GSTM2SMN1; SMN2PPARGPPARA
SCHEMBL5729311 0.85 GSTP1 (0.52) GSTP1GSTM2PPARGPPARAALDH1A1
SCHEMBL20280001 0.82 PPARA (0.51) GSTP1GSTM2PPARGPPARAALDH1A1
SCHEMBL28630326 0.82 PPARA (0.51) GSTP1GSTM2PPARGPPARAALDH1A1

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
EP-1434870-B1 ENZYMATIC PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-AMINO-3-(2-AMINO-PHENYLSULFANYL)-PROPIONIC ACID HOFFMANN LA ROCHE (CH) 2006-12-27 EP disclosed
US-7011960-B2 Substituted 2-amino-3-(2-amino-phenylsulfanyl)-propionic acids HOFFMANN-LA ROCHE INC. (US) 2006-03-14 US disclosed
US-20030119152-A1 Substituted 2-amino-3- (2-amino-phenylsulfanyl) -propionic acids HOFFMANN-LA ROCHE INC. 2003-06-26 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 (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-20030119152-A1 Substituted 2-amino-3- (2-amino-phenylsulfanyl) -propionic acids CCKAR, AGTR1, AGTR2 GSTP1 1257/4885GSTM2 2055/4885SMN1; SMN2 3239/4885

“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.