SCHEMBL13239559

SCHEMBL13239559

CC(C)(C)OC(=O)N[C@H](Cc1ccc2oc(=O)oc2c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.55
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
PTPN1 P18031 1/20 0.50
ITGA4 P13612 1/20 0.48
ITGB7 P26010 1/20 0.48
CTSS P25774 8/20 0.47
CTSK P43235 7/20 0.47
CTSB P07858 3/20 0.47
PPARA Q07869 5/20 0.47
PPARG P37231 4/20 0.47
APP P05067 1/20 0.47
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGB5 P18084 1/20 0.46
PPARD Q03181 2/20 0.46
CTSL P07711 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL2983987 1.00 ACE (0.55) ACEITGB3ITGA2BPTPN1ITGA4
SCHEMBL12597592 0.82 PTPN1 (0.56) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL25742677 0.82 PTPN1 (0.56) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL7962403 0.81 ECE1 (0.60) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL7972346 0.81 ECE1 (0.60) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL29120184 0.81 ACE (0.52) ACEITGB3ITGA2BPTPN1ITGA4
SCHEMBL18902146 0.80 ECE1 (0.43) ITGA4ITGB7PPARGITGB1
SCHEMBL17933020 0.79 ACE (0.60) ACEITGB3ITGA2BPTPN1ITGA4
SCHEMBL1172086 0.79 ACE (0.60) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL10099987 0.79 ACE (0.60) ACEITGB3ITGA2BPTPN1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324272-B2 Levodopa dimethyl-substituted diester prodrugs, compositions, and methods of use XENOPORT, INC. (US) 2012-12-04 US disclosed
US-20100173992-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2010-07-08 US disclosed
US-7709527-B2 2-acetyloxy-1-methylpropyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate; Parkinson's disease; crystalline forms; improved pharmacokinetics; oral administration XENOPORT, INC. (US) 2010-05-04 US disclosed
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use XENOPORT, INC. 2008-09-04 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-20100173992-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE COMT, DDT, DDC ACE 630/4885ITGB3 4272/4885ITGA2B 4597/4885
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use COMT, DDT, DDC ACE 751/4885ITGB3 4019/4885ITGA2B 4449/4885

“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.