SCHEMBL7674863

SCHEMBL7674863

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.51
TAS1R1 Q7RTX1 5/20 0.51
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
SSTR3 P32745 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.39
ERAP2 Q6P179 1/20 0.39
LNPEP Q9UIQ6 1/20 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
SCHEMBL7679340 1.00 TAS1R3 (0.51) TAS1R3TAS1R1HPGDSMN1; SMN2MAPT
SCHEMBL7671377 1.00 TAS1R3 (0.51) TAS1R3TAS1R1HPGDSMN1; SMN2MAPT
SCHEMBL7679343 1.00 TAS1R3 (0.51) TAS1R3TAS1R1HPGDSMN1; SMN2MAPT
SCHEMBL8423095 0.98 TAS1R3 (0.49) TAS1R3TAS1R1HPGDSMN1; SMN2MAPT
SCHEMBL7679816 0.93 TAS1R3 (0.49) TAS1R3TAS1R1HPGDSMN1; SMN2MAPT
SCHEMBL7975055 0.93 TAS1R3 (0.49) TAS1R3TAS1R1HPGDSMN1; SMN2MAPT
SCHEMBL7679822 0.93 TAS1R3 (0.49) TAS1R3TAS1R1HPGDSMN1; SMN2MAPT
SCHEMBL7679622 0.89 ERAP2 (0.43) TAS1R3TAS1R1HPGDSMN1; SMN2MAPT
SCHEMBL7679626 0.89 ERAP2 (0.43) TAS1R3TAS1R1HPGDSMN1; SMN2MAPT
SCHEMBL7679656 0.89 ERAP2 (0.43) TAS1R3TAS1R1HPGDSMN1; SMN2MAPT

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-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
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 TAS1R3 4513/4885TAS1R1 4595/4885HPGD 749/4885

“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.