SCHEMBL2987553

SCHEMBL2987553

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nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2982462 1.00 HCAR2 (0.32) HCAR2SMN1; SMN2
SCHEMBL2984334 1.00 HCAR2 (0.32) HCAR2SMN1; SMN2
SCHEMBL5009118 1.00 HCAR2 (0.32) HCAR2SMN1; SMN2
SCHEMBL2989808 1.00 HCAR2 (0.32) HCAR2SMN1; SMN2
SCHEMBL4438506 0.80 ELANE (0.34) HCAR2
SCHEMBL2980609 0.80 ELANE (0.34) HCAR2
SCHEMBL1216963 0.80 ELANE (0.34) HCAR2
SCHEMBL682227 0.74 TSHR (0.48) HCAR2SMN1; SMN2
SCHEMBL5077477 0.74 TSHR (0.48) HCAR2SMN1; SMN2
SCHEMBL9999821 0.74 TSHR (0.48) HCAR2SMN1; SMN2

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
EP-2125702-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE Xenoport, Inc. (US) 2009-12-02 EP claimed
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use XENOPORT, INC. 2008-09-04 US claimed
WO-2008076458-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2008-06-26 WO 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 HCAR2 1572/4885SMN1; SMN2 59/4885
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use COMT, DDT, DDC HCAR2 1405/4885SMN1; SMN2 66/4885

“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.