SCHEMBL3099263

SCHEMBL3099263

CCCC(=O)OCCOC(=O)N[C@H](CO)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.44
MME P08473 4/20 0.40
DGKA P23743 1/20 0.40
NOD1 Q9Y239 1/20 0.39
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
FOLH1 Q04609 4/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL3089428 0.91 DGKA (0.49) TGFBR1MMEDGKANOD1KDM4E
SCHEMBL3100488 0.88 DGKA (0.58) DGKANOD1KDM4EDUSP3MEN1
SCHEMBL12354490 0.85 TGFBR1 (0.50) TGFBR1MMEKDM4EFOLH1ACHE
SCHEMBL1840799 0.82 TGFBR1 (0.47) TGFBR1MMEACHE
SCHEMBL5765667 0.82 TGFBR1 (0.47) TGFBR1MMEACHE
SCHEMBL2332506 0.82 TGFBR1 (0.47) TGFBR1MMEACHE
SCHEMBL3094826 0.81 MME (0.48) TGFBR1MMEMEN1KMT2ALMNA
SCHEMBL6279179 0.80 TGFBR1 (0.49) TGFBR1MMEKDM4EFOLH1
SCHEMBL9854740 0.79 EPHX1 (0.54) TGFBR1NOD1ACHE
SCHEMBL7769025 0.79 EPHX1 (0.54) TGFBR1NOD1ACHE

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 TGFBR1 3355/4885MME 752/4885DGKA 968/4885
US-20080051458-A1 Acyloxyalkyl carbamate prodrugs of alpha-amino acids, methods of synthesis and use ASNS, ASPH, DNPEP TGFBR1 3355/4885MME 752/4885DGKA 968/4885

“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.