SCHEMBL2986945

SCHEMBL2986945

CCOC(=O)O[C@H](C)CC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
SOAT1 P35610 1/20 0.50
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
MAPT P10636 2/20 0.38
TRPA1 O75762 1/20 0.36
MMP8 P22894 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2984393 1.00 ALDH1A1 (0.55) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL6890292 1.00 ALDH1A1 (0.55) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL11767115 0.89 SOAT1 (0.62) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL10344105 0.86 ALDH1A1 (0.55) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL31731277 0.86 MAPT (0.38) ALDH1A1SOAT1LMNAMAPT
SCHEMBL25382868 0.85 MAPT (0.38) ALDH1A1SOAT1LMNAMAPTL3MBTL1
SCHEMBL149834 0.85 MAPT (0.38) ALDH1A1SOAT1LMNAMAPTL3MBTL1
SCHEMBL2984199 0.85 MAPT (0.38) ALDH1A1SOAT1LMNAMAPTL3MBTL1
SCHEMBL2980293 0.85 MAPT (0.38) ALDH1A1SOAT1LMNAMAPTL3MBTL1
SCHEMBL25380452 0.85 MAPT (0.38) ALDH1A1SOAT1LMNAMAPTL3MBTL1

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 10 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 claimed
US-20100173992-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2010-07-08 US claimed
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use XENOPORT, INC. 2008-09-04 US claimed
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
EP-2125702-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE Xenoport, Inc. (US) 2009-12-02 EP disclosed
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use XENOPORT, INC. 2008-09-04 US disclosed
WO-2008076458-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2008-06-26 WO disclosed
US-20080070984-A1 Compositions and Methods of Treating Schizophrenia XENOPORT, INC. 2008-03-20 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 (3 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 ALDH1A1 996/4885SOAT1 3532/4885LMNA 2422/4885
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use COMT, DDT, DDC ALDH1A1 893/4885SOAT1 3560/4885LMNA 2510/4885
US-20080070984-A1 Compositions and Methods of Treating Schizophrenia COMT, CHAT, SLC6A3 ALDH1A1 1594/4885SOAT1 2670/4885LMNA 3299/4885

“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.