SCHEMBL6136565

SCHEMBL6136565

CC(C)COC(=O)C(C)NC(=O)CC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
EPHX1 P07099 1/20 0.44
KMT2A Q03164 1/20 0.44
METAP2 P50579 2/20 0.42
EPHX2 P34913 2/20 0.40
CTSD P07339 1/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LTA4H P09960 1/20 0.37
CACNA1B Q00975 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4410735 1.00 HPGD (0.44) HPGDEPHX1KMT2AMETAP2EPHX2
SCHEMBL4413494 0.98 KMT2A (0.41) HPGDEPHX1KMT2AMETAP2EPHX2
SCHEMBL6136633 0.98 KMT2A (0.41) HPGDEPHX1KMT2AMETAP2EPHX2
SCHEMBL4412878 0.84 KMT2A (0.44) HPGDEPHX1KMT2AMETAP2EPHX2
SCHEMBL6136201 0.84 KMT2A (0.44) HPGDEPHX1KMT2AMETAP2EPHX2
SCHEMBL6136293 0.79 LTA4H (0.55) HPGDEPHX1KMT2AEPHX2CTSD
SCHEMBL6136289 0.79 LTA4H (0.55) HPGDEPHX1KMT2AEPHX2CTSD
SCHEMBL7437533 0.78 HPGD (0.57) HPGDEPHX1KMT2AEPHX2CTSD
SCHEMBL6136272 0.77 TSHR (0.45) HPGDEPHX1KMT2AEPHX2L3MBTL1
SCHEMBL4412011 0.77 TSHR (0.45) HPGDEPHX1KMT2AEPHX2L3MBTL1

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 11 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-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 HPGD 756/4885EPHX1 1598/4885KMT2A 3554/4885
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 HPGD 756/4885EPHX1 1598/4885KMT2A 3554/4885

“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.