SCHEMBL7980031

SCHEMBL7980031

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
NOS2 P35228 2/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MCL1 Q07820 1/20 0.42
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 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
SCHEMBL7674022 1.00 L3MBTL1 (0.43) L3MBTL1CA12CA1CA2CA9
SCHEMBL7674224 1.00 L3MBTL1 (0.43) L3MBTL1CA12CA1CA2CA9
SCHEMBL7680186 0.91 CASP3 (0.44) SMN1; SMN2MAPTLMNANOS2NOS3
SCHEMBL7681041 0.91 CASP3 (0.44) SMN1; SMN2MAPTLMNANOS2NOS3
SCHEMBL7678760 0.90 MAPT (0.43) L3MBTL1CA12CA1CA2CA9
SCHEMBL7671313 0.90 MAPT (0.43) L3MBTL1CA12CA1CA2CA9
SCHEMBL1824758 0.87 NOS3 (0.57) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL1824759 0.87 NOS3 (0.57) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL7677120 0.87 NOS3 (0.57) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL7975055 0.86 TAS1R3 (0.49) SMN1; SMN2MAPTLMNANOS2NOS3

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 2 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

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 L3MBTL1 4510/4885CA12 4233/4885CA1 1279/4885

“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.