SCHEMBL3509995

SCHEMBL3509995

COc1cccc([C@@H](C)NC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)c1

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE2 Q9Y5Z0 10/20 0.87
BACE1 P56817 16/20 0.82
CYP3A4 P08684 1/20 0.82
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
SCHEMBL4216247 1.00 BACE2 (0.87) BACE2BACE1CYP3A4CTSDAPP
SCHEMBL3508892 1.00 BACE2 (0.87) BACE2BACE1CYP3A4CTSDAPP
SCHEMBL3508665 0.98 BACE2 (0.84) BACE2BACE1CYP3A4CTSDAPP
SCHEMBL3510019 0.98 BACE2 (0.84) BACE2BACE1CYP3A4CTSDAPP
SCHEMBL3509178 0.96 BACE2 (0.82) BACE2BACE1CYP3A4CTSDAPP
SCHEMBL3511392 0.94 BACE1 (0.80) BACE2BACE1CYP3A4CTSDAPP
SCHEMBL3511779 0.94 BACE1 (0.80) BACE2BACE1CYP3A4CTSDAPP
SCHEMBL15299678 0.93 BACE2 (1.00) BACE2BACE1CYP3A4CTSDAPP
SCHEMBL3510041 0.93 BACE1 (0.79) BACE2BACE1CYP3A4CTSDAPP
SCHEMBL3508782 0.93 BACE2 (0.76) BACE2BACE1CYP3A4CTSDAPP

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 8 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
US-7504420-B2 Compounds which inhibit beta-secretase activity and methods of use COMENTIS, INC. (US) 2009-03-17 US disclosed
WO-2009015369-A2 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2009-01-29 WO disclosed
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2008-07-24 US disclosed
US-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use ZAPAQ, INC. (US) 2007-05-24 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 (3 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-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use BACE1, BACE2, APP BACE2 2/4885BACE1 1/4885CYP3A4 4540/4885
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY BACE1, BACE2, APP BACE2 2/4885BACE1 1/4885CYP3A4 3284/4885
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP BACE2 2/4885BACE1 1/4885CYP3A4 4469/4885

“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.