SCHEMBL6136442

SCHEMBL6136442

CSCCC(NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)OCC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FNTA P49354 4/20 0.46
FNTB P49356 4/20 0.46
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
CRHBP P24387 1/20 0.44
MAPK1 P28482 1/20 0.44
CRHR2 Q13324 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
PGGT1B P53609 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4419164 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HTTL3MBTL1FNTA
SCHEMBL4421021 0.90 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTL3MBTL1FNTA
SCHEMBL4421025 0.90 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTL3MBTL1FNTA
SCHEMBL8442445 0.89 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTL3MBTL1FNTA
SCHEMBL8442448 0.89 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTL3MBTL1FNTA
SCHEMBL4413176 0.86 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2HTTL3MBTL1CYP2D6
SCHEMBL6136290 0.85 FNTA (0.60) ALDH1A1SMN1; SMN2HTTL3MBTL1FNTA
SCHEMBL6136285 0.85 FNTA (0.60) ALDH1A1SMN1; SMN2HTTL3MBTL1FNTA
SCHEMBL6136282 0.85 FNTA (0.60) ALDH1A1SMN1; SMN2HTTL3MBTL1FNTA
SCHEMBL6136373 0.85 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2HTTL3MBTL1CYP2D6

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 15 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
US-6333351-B1 ENZYME INHIBITORS WITH CARRIERS ATHENA NEUROSCIENCES, INC. 2001-12-25 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-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-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 (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-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 ALDH1A1 2654/4885SMN1; SMN2 1519/4885HTT 18/4885
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 ALDH1A1 2654/4885SMN1; SMN2 1519/4885HTT 18/4885

“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.