SCHEMBL3512079

SCHEMBL3512079

Cc1csc(CN(C)C(=O)c2cc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(C)c3cncc(C(F)(F)F)c3)cc(C(F)F)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSD P07339 12/20 0.38
BACE1 P56817 14/20 0.37
BACE2 Q9Y5Z0 10/20 0.37
CYP3A4 P08684 1/20 0.35

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
SCHEMBL3506174 0.95 BACE1 (0.38) CTSDBACE1BACE2CYP3A4
SCHEMBL3508650 0.95 BACE1 (0.38) CTSDBACE1BACE2CYP3A4
SCHEMBL3511116 0.92 BACE1 (0.43) CTSDBACE1BACE2CYP3A4
SCHEMBL3510227 0.91 BACE1 (0.38) CTSDBACE1BACE2CYP3A4
SCHEMBL3510767 0.90 BACE1 (0.39) CTSDBACE1BACE2CYP3A4
SCHEMBL3509906 0.89 BACE1 (0.39) CTSDBACE1BACE2CYP3A4
SCHEMBL3509428 0.89 BACE1 (0.39) CTSDBACE1BACE2CYP3A4
SCHEMBL3512076 0.88 BACE1 (0.46) CTSDBACE1BACE2CYP3A4
SCHEMBL3506932 0.88 BACE1 (0.40) CTSDBACE1BACE2CYP3A4
SCHEMBL3512769 0.88 BACE1 (0.40) CTSDBACE1BACE2CYP3A4

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-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

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 CTSD 191/4885BACE1 1/4885BACE2 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.