SCHEMBL3090625

SCHEMBL3090625

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.47
MME P08473 5/20 0.46
FOLH1 Q04609 7/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
TYR P14679 1/20 0.36
NAALAD2 Q9Y3Q0 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
SCHEMBL3101320 0.86 TGFBR1 (0.47) TGFBR1MMEFOLH1ALDH1A1TYR
SCHEMBL6279179 0.84 TGFBR1 (0.49) TGFBR1MMEFOLH1ALDH1A1
SCHEMBL4756588 0.83 TGFBR1 (0.45) TGFBR1MMEFOLH1NAALAD2
SCHEMBL12354490 0.82 TGFBR1 (0.50) TGFBR1MMEFOLH1ALDH1A1
SCHEMBL3094826 0.82 MME (0.48) TGFBR1MMEFOLH1ALDH1A1MEN1
SCHEMBL3098916 0.80 TGFBR1 (0.45) TGFBR1MMEFOLH1ALDH1A1MEN1
SCHEMBL5765667 0.79 TGFBR1 (0.47) TGFBR1MMEALDH1A1
SCHEMBL1840799 0.79 TGFBR1 (0.47) TGFBR1MMEALDH1A1
SCHEMBL2332506 0.79 TGFBR1 (0.47) TGFBR1MMEALDH1A1
SCHEMBL3099263 0.79 TGFBR1 (0.44) TGFBR1MMEFOLH1MEN1LMNA

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 752/4885FOLH1 252/4885
US-20080051458-A1 Acyloxyalkyl carbamate prodrugs of alpha-amino acids, methods of synthesis and use ASNS, ASPH, DNPEP TGFBR1 3355/4885MME 752/4885FOLH1 252/4885

“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.