SCHEMBL6136477

SCHEMBL6136477

CSCCC(NC(=O)Cc1ccccc1)C(=O)OCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
PSMB8 P28062 1/20 0.48
PSMB5 P28074 1/20 0.48
FNTA P49354 2/20 0.47
FNTB P49356 2/20 0.47
PGGT1B P53609 2/20 0.47
ANPEP P15144 1/20 0.46
LTA4H P09960 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
CNR2 P34972 2/20 0.44

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
SCHEMBL4422071 1.00 POLB (0.52) POLBPSMB8PSMB5FNTAFNTB
Methionine SCHEMBL7404727 0.92 FNTA (0.51) POLBPSMB8PSMB5FNTAFNTB
SCHEMBL2330760 0.88 PPID (0.55) POLBFNTAFNTBPGGT1BANPEP
SCHEMBL2330757 0.88 PPID (0.55) POLBFNTAFNTBPGGT1BANPEP
SCHEMBL2328031 0.87 L3MBTL1 (0.56) POLBFNTAFNTBPGGT1BTSHR
SCHEMBL2328029 0.87 L3MBTL1 (0.56) POLBFNTAFNTBPGGT1BTSHR
SCHEMBL2334144 0.85 POLB (0.52) POLBFNTAFNTBPGGT1BANPEP
SCHEMBL2334148 0.85 POLB (0.52) POLBFNTAFNTBPGGT1BANPEP
SCHEMBL6136442 0.84 ALDH1A1 (0.48) POLBFNTAFNTBPGGT1BALDH1A1
SCHEMBL4419164 0.84 ALDH1A1 (0.48) POLBFNTAFNTBPGGT1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0951464-B1 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2005-05-11 EP claimed
US-20030191119-A1 N-(aryl/heteroarylacetyl) amino acid esters, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2003-10-09 US claimed
US-20020137743-A1 N-(aryl/heteroarylacetyl) amino acid esters, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2002-09-26 US claimed
EP-0951464-A1 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-10-27 EP claimed
WO-1998022430-A9 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING b-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS 1998-08-20 WO claimed
WO-1998022430-A1 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING b-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO claimed
EP-0951464-B1 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2005-05-11 EP disclosed
US-6888022-B2 Methods and compounds for inhibiting β-amyloid peptide release and/or its synthesis ATHENA NEUROSCIENCES, INC. (US) 2005-05-03 US disclosed
US-6767918-B2 ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2004-07-27 US disclosed
US-6642261-B2 N-(phenylacetyl)alanine, isobutyl ester for example; prophylaxis and treatment of Alzheimer's disease ATHENA NEUROSCIENCES, INC. 2003-11-04 US disclosed
US-20030191119-A1 N-(aryl/heteroarylacetyl) amino acid esters, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2003-10-09 US disclosed
US-20020137743-A1 N-(aryl/heteroarylacetyl) amino acid esters, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2002-09-26 US disclosed
US-20020052322-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. 2002-05-02 US disclosed
US-6333351-B1 ENZYME INHIBITORS WITH CARRIERS ATHENA NEUROSCIENCES, INC. 2001-12-25 US disclosed
US-6313152-B1 ADMINISTERING N(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS FOR THERAPY OF ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2001-11-06 US disclosed
US-6117901-A N-(aryl/heteroarylacetyl) amino acid esters, pharmaceutical compositions comprising same, and methods for use ATHENA NEUROSCIENCES, INC. (US) 2000-09-12 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-20020052322-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP POLB 2981/4885PSMB8 1017/4885PSMB5 967/4885
US-20020137743-A1 N-(aryl/heteroarylacetyl) amino acid esters, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds APP, BACE1, IAPP POLB 3668/4885PSMB8 938/4885PSMB5 502/4885
US-20030191119-A1 N-(aryl/heteroarylacetyl) amino acid esters, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds APP, BACE1, IAPP POLB 3668/4885PSMB8 938/4885PSMB5 502/4885

“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.