SCHEMBL3510028

SCHEMBL3510028

Cc1csc(CN(C)C(=O)c2cccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CNCc3cccc(C(C)(F)F)c3)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.53
CTSD P07339 14/20 0.53
BACE2 Q9Y5Z0 14/20 0.53
BCHE P06276 2/20 0.46

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
SCHEMBL4220620 0.95 BACE1 (0.59) BACE1CTSDBACE2BCHE
SCHEMBL168969 0.95 BACE1 (0.59) BACE1CTSDBACE2BCHE
SCHEMBL3512634 0.94 BACE1 (0.53) BACE1CTSDBACE2BCHE
SCHEMBL3507821 0.94 BACE1 (0.51) BACE1CTSDBACE2BCHE
SCHEMBL3506931 0.93 BACE1 (0.48) BACE1CTSDBACE2BCHE
SCHEMBL3512408 0.93 BACE1 (0.51) BACE1CTSDBACE2BCHE
SCHEMBL3508822 0.92 BACE1 (0.54) BACE1CTSDBACE2BCHE
SCHEMBL255897 0.92 BACE1 (0.53) BACE1CTSDBACE2
SCHEMBL4218395 0.91 BACE1 (0.55) BACE1CTSDBACE2
SCHEMBL4216356 0.91 BACE1 (0.55) BACE1CTSDBACE2

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 1/4885CTSD 191/4885BACE2 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.