SCHEMBL2980554

SCHEMBL2980554

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
MMP9 P14780 1/20 0.52
MMP13 P45452 1/20 0.52
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 2/20 0.37
EPHX2 P34913 1/20 0.35
CYP19A1 P11511 1/20 0.34
MAPT P10636 1/20 0.34
PRKCA P17252 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL2988925 1.00 MMP1 (0.52) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2692319 1.00 MMP1 (0.52) MMP1MMP2MMP3MMP9MMP13
SCHEMBL6153342 0.86 MMP1 (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5907629 0.84 TSHR (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2988177 0.84 ELANE (0.40) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2990590 0.84 ELANE (0.40) MMP1MMP2MMP3MMP9MMP13
SCHEMBL4737400 0.84 ELANE (0.40) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18431389 0.82 MMP1 (0.35) MMP1MMP2MMP3MMP9MMP13
SCHEMBL14763891 0.82 MMP1 (0.48) MMP1MMP2MMP3MMP9MMP13
SCHEMBL9745593 0.82 MMP1 (0.35) MMP1MMP2MMP3MMP9MMP13

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 7 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-8324273-B2 Catechol protected levodopa 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
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. 2008-07-17 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 MMP1 3705/4885MMP2 3662/4885MMP3 2630/4885
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use COMT, DDT, DDC MMP1 3276/4885MMP2 3292/4885MMP3 2300/4885
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use COMT, PARK7, DDT MMP1 2825/4885MMP2 2441/4885MMP3 1890/4885

“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.