SCHEMBL6136445

SCHEMBL6136445

CC(C)COC(=O)C(C)NC(=O)Cc1coc(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARA Q07869 4/20 0.45
PPARG P37231 3/20 0.45
KCNJ5 P48544 1/20 0.43
KCNJ3 P48549 1/20 0.43
FFAR1 O14842 1/20 0.43
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SHMT2 P34897 4/20 0.39
SHMT1 P34896 2/20 0.39

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
SCHEMBL6136446 1.00 LMNA (0.50) LMNAGAATSHRKMT2APPARA
SCHEMBL6136460 0.86 LMNA (0.56) LMNAGAATSHRKMT2APPARA
SCHEMBL6136457 0.86 LMNA (0.56) LMNAGAATSHRKMT2APPARA
SCHEMBL4414750 0.75 POLB (0.54) KMT2AHPGD
SCHEMBL4414752 0.75 POLB (0.54) KMT2AHPGD
SCHEMBL4411585 0.75 HPSE (0.56) LMNAKMT2APPARGHPGD
SCHEMBL4411588 0.75 HPSE (0.56) LMNAKMT2APPARGHPGD
SCHEMBL24663712 0.74 LMNA (0.52) LMNAGAATSHRKMT2APPARA
SCHEMBL4415149 0.73 SMN1; SMN2 (0.44) LMNAKMT2A
SCHEMBL4415152 0.73 SMN1; SMN2 (0.44) LMNAKMT2A

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 13 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-6767918-B2 ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2004-07-27 US 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-6313152-B1 ADMINISTERING N(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS FOR THERAPY OF ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2001-11-06 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 LMNA 1921/4885GAA 33/4885TSHR 3457/4885
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 LMNA 1921/4885GAA 33/4885TSHR 3457/4885

“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.