SCHEMBL6136789

SCHEMBL6136789

CC(C)COC(=O)C(C)NC(=O)Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.39
CNR2 P34972 3/20 0.37
CTSK P43235 1/20 0.37
TSHR P16473 2/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
RECQL P46063 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
HTT P42858 2/20 0.36
PTGS2 P35354 2/20 0.35
LMNA P02545 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
SCHEMBL4417385 1.00 ALDH1A1 (0.40) ALDH1A1HPGDGAACNR2CTSK
SCHEMBL4416916 0.87 ALDH1A1 (0.53) ALDH1A1HPGDTSHRMMEACE
SCHEMBL4416918 0.87 ALDH1A1 (0.53) ALDH1A1HPGDTSHRMMEACE
SCHEMBL6136661 0.86 CNR2 (0.54) ALDH1A1CNR2L3MBTL1CACNA1FCACNA1D
SCHEMBL4423099 0.86 CNR2 (0.54) ALDH1A1CNR2L3MBTL1CACNA1FCACNA1D
SCHEMBL4424434 0.83 SMYD3 (0.44) ALDH1A1TDP1HTTKMT2A
SCHEMBL4424438 0.83 SMYD3 (0.44) ALDH1A1TDP1HTTKMT2A
SCHEMBL6136304 0.82 L3MBTL1 (0.44) ALDH1A1TSHRTDP1L3MBTL1HTT
SCHEMBL4414749 0.82 L3MBTL1 (0.44) ALDH1A1TSHRTDP1L3MBTL1HTT
SCHEMBL8446008 0.81 CNR2 (0.46) ALDH1A1GAACNR2TSHRL3MBTL1

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 9 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-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-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-6333351-B1 ENZYME INHIBITORS WITH CARRIERS ATHENA NEUROSCIENCES, INC. 2001-12-25 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 2654/4885HPGD 756/4885GAA 33/4885
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 2654/4885HPGD 756/4885GAA 33/4885

“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.