SCHEMBL5054685

SCHEMBL5054685

CCc1ccc2c(c1)C(NC[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)O)COC2

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.73
CTSD P07339 18/20 0.64

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
SCHEMBL5054680 1.00 BACE1 (0.73) BACE1CTSD
SCHEMBL3173097 0.91 BACE1 (0.87) BACE1CTSD
SCHEMBL3173082 0.91 BACE1 (0.87) BACE1CTSD
SCHEMBL4796356 0.91 BACE1 (0.70) BACE1CTSD
SCHEMBL4796364 0.91 BACE1 (0.70) BACE1CTSD
SCHEMBL4801456 0.89 BACE1 (0.66) BACE1CTSD
SCHEMBL4801442 0.89 BACE1 (0.66) BACE1CTSD
SCHEMBL8128608 0.89 BACE1 (0.65) BACE1CTSD
SCHEMBL4797292 0.89 BACE1 (0.67) BACE1CTSD
SCHEMBL4797284 0.89 BACE1 (0.67) BACE1CTSD

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-20080306136-A1 Substituted Ureas and Carbamates ELAN PHARMACEUTICALS, INC. 2008-12-11 US claimed
US-20040209925-A1 Substituted ureas and carbamates ELAN PHARMACEUTICALS, INC. 2004-10-21 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 (2 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-20040209925-A1 Substituted ureas and carbamates BACE1, BACE2, PSEN1 BACE1 1/4885CTSD 94/4885
US-20080306136-A1 Substituted Ureas and Carbamates BACE1, BACE2, APP BACE1 1/4885CTSD 66/4885

“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.