SCHEMBL7974091

SCHEMBL7974091

CCC(C)[C@H](NC(=O)[C@H](C)Nc1ccc(Cl)c(Cl)c1)C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.57
NOS1 P29475 4/20 0.57
NOS2 P35228 4/20 0.57
ALDH1A1 P00352 5/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL7676887 1.00 NOS3 (0.57) NOS3NOS1NOS2ALDH1A1HTT
SCHEMBL7674505 1.00 NOS3 (0.57) NOS3NOS1NOS2ALDH1A1HTT
SCHEMBL7674513 1.00 NOS3 (0.57) NOS3NOS1NOS2ALDH1A1HTT
SCHEMBL8420189 0.92 NOS3 (0.50) NOS3NOS1NOS2ALDH1A1HTT
SCHEMBL8418925 0.88 NOS2 (0.50) NOS3NOS1NOS2ALDH1A1HTT
SCHEMBL8418928 0.88 NOS2 (0.50) NOS3NOS1NOS2ALDH1A1HTT
SCHEMBL1821268 0.88 ALDH1A1 (0.46) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL7680271 0.88 ALDH1A1 (0.46) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL1821265 0.88 ALDH1A1 (0.46) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL7977211 0.86 MAPT (0.45) NOS3NOS1NOS2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 disclosed
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 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 NOS3 920/4885NOS1 1031/4885NOS2 982/4885

“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.