SCHEMBL3510143

SCHEMBL3510143

C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(=O)O)c2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.82
CYP3A4 P08684 1/20 0.82
BACE2 Q9Y5Z0 7/20 0.71
CTSD P07339 2/20 0.71
APP P05067 1/20 0.71

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
SCHEMBL3511841 0.94 BACE1 (0.81) BACE1CYP3A4BACE2CTSDAPP
SCHEMBL4216477 0.94 BACE1 (0.84) BACE1CYP3A4BACE2CTSDAPP
SCHEMBL3506341 0.93 BACE1 (0.83) BACE1CYP3A4BACE2CTSDAPP
SCHEMBL3511806 0.93 BACE1 (0.83) BACE1CYP3A4BACE2CTSDAPP
SCHEMBL4208936 0.93 BACE1 (0.83) BACE1CYP3A4BACE2CTSDAPP
SCHEMBL3510802 0.92 BACE1 (0.82) BACE1CYP3A4BACE2CTSDAPP
SCHEMBL4219232 0.92 BACE1 (0.82) BACE1CYP3A4BACE2CTSDAPP
SCHEMBL4204469 0.92 BACE1 (0.82) BACE1CYP3A4BACE2CTSDAPP
SCHEMBL3507562 0.92 BACE1 (0.82) BACE1CYP3A4BACE2CTSDAPP
SCHEMBL4222543 0.92 BACE1 (0.82) BACE1CYP3A4BACE2CTSDAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 US claimed
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 US disclosed
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 US disclosed
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 US disclosed
WO-2009015369-A2 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2009-01-29 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-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY BACE1, BACE2, APP BACE1 1/4885CYP3A4 3284/4885BACE2 2/4885

“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.