SCHEMBL2986183

SCHEMBL2986183

CC[C@H](C)OC(=O)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33
EPHX2 P34913 1/20 0.33
LMNA P02545 1/20 0.33
SYK P43405 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL10321962 1.00 ACACB (0.36) ACACBMAPTNPSR1HPGDGAA
SCHEMBL5370039 1.00 ACACB (0.36) ACACBMAPTNPSR1HPGDGAA
SCHEMBL2990263 1.00 ACACB (0.36) ACACBMAPTNPSR1HPGDGAA
SCHEMBL9284085 0.92 PLG (0.38) ACACBMAPTLMNA
SCHEMBL2991371 0.92 HPGD (0.41) ACACBMAPTHPGDEPHX2LMNA
SCHEMBL2984985 0.92 HPGD (0.41) ACACBMAPTHPGDEPHX2LMNA
SCHEMBL2988848 0.92 LMNA (0.41) HPGDGAALMNACTSLCTSB
SCHEMBL7843971 0.92 LMNA (0.41) HPGDGAALMNACTSLCTSB
SCHEMBL10321883 0.92 HPGD (0.41) ACACBMAPTHPGDEPHX2LMNA
SCHEMBL2986132 0.92 LMNA (0.41) HPGDGAALMNACTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ACACB 3013/4885MAPT 233/4885NPSR1 1770/4885
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use COMT, DDT, DDC ACACB 2917/4885MAPT 356/4885NPSR1 1666/4885

“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.