SCHEMBL5055415

SCHEMBL5055415

CCS(=O)(=O)Nc1cc(C(=O)NC(CC(C)C)C(O)CC(C)C(=O)NC(C(=O)NC(C)C)C(C)C)cc(C(=O)NC2c3ccccc3CC2O)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.52
BACE2 Q9Y5Z0 6/20 0.51
CTSD P07339 5/20 0.51
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 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
SCHEMBL5055419 0.87 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL5053628 0.82 BACE1 (0.74) BACE1BACE2CTSD
SCHEMBL5055423 0.81 BACE1 (0.74) BACE1BACE2CTSD
SCHEMBL5049157 0.80 BACE1 (0.75) BACE1BACE2CTSD
SCHEMBL5055391 0.77 BACE1 (0.52) BACE1BACE2CTSD
SCHEMBL5055412 0.77 BACE1 (0.65) BACE1BACE2CTSD
SCHEMBL5051650 0.74 BACE1 (0.76) BACE1BACE2CTSD
SCHEMBL5050491 0.73 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL5049137 0.73 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL8270178 0.73 CCR1 (0.47) BACE1BACE2CTSDPSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207527-A1 Bicyclic Compounds Which Inhibit Beta-Secretase Activity and Methods of Use Thereof COMENTIS, INC. (US) 2008-08-28 US claimed

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-20080207527-A1 Bicyclic Compounds Which Inhibit Beta-Secretase Activity and Methods of Use Thereof BACE1, BACE2, PSEN1 BACE1 1/4885BACE2 2/4885CTSD 45/4885

“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.