SCHEMBL5036860

SCHEMBL5036860

CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)P(=O)(O)CC(C)C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.54
APP P05067 5/20 0.54
CTSD P07339 3/20 0.47
BACE2 Q9Y5Z0 2/20 0.46
MME P08473 1/20 0.43
MMEL1 Q495T6 1/20 0.43

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
SCHEMBL5037100 0.92 BACE1 (0.52) BACE1APPCTSDBACE2
SCHEMBL5071310 0.92 BACE1 (0.55) BACE1APPCTSDBACE2
SCHEMBL5036929 0.91 BACE1 (0.62) BACE1APPCTSDBACE2
SCHEMBL5036923 0.91 BACE1 (0.62) BACE1APPCTSDBACE2
SCHEMBL5072987 0.91 BACE1 (0.55) BACE1APPCTSDBACE2
SCHEMBL3414047 0.90 BACE1 (0.62) BACE1APPCTSDBACE2
SCHEMBL5037372 0.89 BACE1 (0.57) BACE1APPCTSDBACE2
SCHEMBL5038640 0.88 BACE1 (0.60) BACE1APPCTSDBACE2
SCHEMBL5038541 0.88 BACE1 (0.52) BACE1APPCTSDBACE2
SCHEMBL5036952 0.88 BACE1 (0.60) BACE1APPCTSDBACE2

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-7345082-B2 Phosphinic acids HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
EP-1685142-B1 PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
EP-1685142-A1 PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2006-08-02 EP disclosed
WO-2005044830-A1 PHOSPHINIC ACIDS DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 WO disclosed
US-20050107341-A1 Phosphinic acids F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 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-20050107341-A1 Phosphinic acids BACE1, PSEN1, PSEN2 BACE1 1/4885APP 5/4885CTSD 800/4885

“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.