SCHEMBL3100485

SCHEMBL3100485

CCCCCCC(=O)OC(C)OC(=O)N[C@H](CO)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 4/20 0.50
PRKCA P17252 4/20 0.46
PRKCE Q02156 2/20 0.46
PRKCQ Q04759 2/20 0.46
PRKCD Q05655 2/20 0.46
KDM4E B2RXH2 1/20 0.44
DUSP3 P51452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PLA2G2A P14555 2/20 0.44
PLA2G5 P39877 2/20 0.44
NOD1 Q9Y239 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TLR2 O60603 2/20 0.41

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
SCHEMBL3089426 0.94 MAPT (0.43) MAPTMAPK1LMNAPRKCAPRKCE
SCHEMBL3099259 0.89 FOLH1 (0.43) MAPTMAPK1LMNAALDH1A1
SCHEMBL3100488 0.80 DGKA (0.58) MAPTMAPK1LMNAPRKCAPRKCE
SCHEMBL3835899 0.79 LMNA (0.77) MAPTMAPK1LMNAPRKCAPRKCE
SCHEMBL27611224 0.79 LMNA (0.77) MAPTMAPK1LMNAPRKCAPRKCE
SCHEMBL11614143 0.79 LMNA (0.77) MAPTMAPK1LMNAPRKCAPRKCE
SCHEMBL27593159 0.79 LMNA (0.77) MAPTMAPK1LMNAPRKCAPRKCE
SCHEMBL3834695 0.79 LMNA (0.77) MAPTMAPK1LMNAPRKCAPRKCE
SCHEMBL3094823 0.79 MME (0.45)
Acetic Acid SCHEMBL10783410 0.77 LMNA (0.69) MAPTMAPK1LMNAPRKCAPRKCE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531572-B2 Acyloxyalkyl carbamate prodrugs of α-amino acids, methods of synthesis and use XENOPORT, INC. (US) 2009-05-12 US claimed
US-20080051458-A1 Acyloxyalkyl carbamate prodrugs of alpha-amino acids, methods of synthesis and use XENOPORT, INC. 2008-02-28 US claimed
WO-2008013860-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF ALPHA-AMINO ACIDS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2008-01-31 WO claimed
US-7799829-B2 Acyloxyalkyl carbamate prodrugs of α-amino acids, methods of synthesis and use XENOPORT, INC. (US) 2010-09-21 US disclosed
US-20090192225-A1 Acyloxyalkyl Carbamate Prodrugs of Alpha-Amino Acids, Methods of Synthesis and Use XENOPORT, INC. (US) 2009-07-30 US disclosed
US-7531572-B2 Acyloxyalkyl carbamate prodrugs of α-amino acids, methods of synthesis and use XENOPORT, INC. (US) 2009-05-12 US disclosed
US-20080051458-A1 Acyloxyalkyl carbamate prodrugs of alpha-amino acids, methods of synthesis and use XENOPORT, INC. 2008-02-28 US disclosed
WO-2008013860-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF ALPHA-AMINO ACIDS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2008-01-31 WO 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-20090192225-A1 Acyloxyalkyl Carbamate Prodrugs of Alpha-Amino Acids, Methods of Synthesis and Use ASNS, ASPH, DNPEP MAPT 2188/4885MAPK1 4634/4885LMNA 2068/4885
US-20080051458-A1 Acyloxyalkyl carbamate prodrugs of alpha-amino acids, methods of synthesis and use ASNS, ASPH, DNPEP MAPT 2188/4885MAPK1 4634/4885LMNA 2068/4885

“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.