SCHEMBL7680422

SCHEMBL7680422

CC(Nc1ccc(Cl)c(Cl)c1)C(=O)NC(C(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.42
NPR3 P17342 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPA1 O75762 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
EPHX1 P07099 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
SCHEMBL7680603 1.00 ALDH1A1 (0.45) ALDH1A1MAPTLMNANPSR1GAA
SCHEMBL7680427 1.00 ALDH1A1 (0.45) ALDH1A1MAPTLMNANPSR1GAA
SCHEMBL1821268 0.88 ALDH1A1 (0.46) ALDH1A1MAPTLMNANPSR1GAA
SCHEMBL1821265 0.88 ALDH1A1 (0.46) ALDH1A1MAPTLMNANPSR1GAA
SCHEMBL7680271 0.88 ALDH1A1 (0.46) ALDH1A1MAPTLMNANPSR1GAA
SCHEMBL7680661 0.84 ALDH1A1 (0.46) ALDH1A1MAPTLMNANPSR1GAA
SCHEMBL7974081 0.84 ALDH1A1 (0.46) ALDH1A1MAPTLMNANPSR1GAA
SCHEMBL7680129 0.84 ALDH1A1 (0.46) ALDH1A1MAPTLMNANPSR1GAA
SCHEMBL7680665 0.84 ALDH1A1 (0.46) ALDH1A1MAPTLMNANPSR1GAA
SCHEMBL7680305 0.82 ALDH1A1 (0.50) ALDH1A1MAPTLMNANPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495693-B2 TREATMENT OF ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2002-12-17 US claimed
US-20010020097-A1 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS AUDIA JAMES E (US) 2001-09-06 US claimed
EP-0942923-A2 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP claimed
WO-1998022493-A2 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO claimed
US-6495693-B2 TREATMENT OF ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2002-12-17 US disclosed
US-20010020097-A1 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS AUDIA JAMES E (US) 2001-09-06 US disclosed
US-6096782-A N-(aryl/heteroaryl) amino acid derivatives pharmaceutical compositions comprising same and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2000-08-01 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 (1 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-20010020097-A1 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, 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 3198/4885MAPT 25/4885LMNA 1840/4885

“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.