SCHEMBL5118347

SCHEMBL5118347

CCCCOc1ccccc1C[C@H](NC(=O)c1coc(NS(C)(=O)=O)n1)[C@@H](O)CNCc1cccc(CC)c1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.44
CTSB P07858 18/20 0.44
CTSD P07339 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
SCHEMBL5118327 1.00 BACE1 (0.44) BACE1CTSBCTSD
SCHEMBL5124237 0.97 BACE1 (0.43) BACE1CTSBCTSD
SCHEMBL5124225 0.97 BACE1 (0.43) BACE1CTSBCTSD
SCHEMBL5122431 0.89 BACE1 (0.46) BACE1CTSBCTSD
SCHEMBL5122420 0.89 BACE1 (0.46) BACE1CTSBCTSD
SCHEMBL3352908 0.89 BACE1 (0.46) BACE1CTSBCTSD
SCHEMBL3352919 0.89 BACE1 (0.46) BACE1CTSBCTSD
SCHEMBL5119108 0.88 BACE1 (0.45) BACE1CTSBCTSD
SCHEMBL5119102 0.88 BACE1 (0.45) BACE1CTSBCTSD
SCHEMBL3915325 0.87 BACE1 (0.48) BACE1CTSBCTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096942-A1 Substituted Hydroxyethylamines ELAN PHARMACEUTICALS, INC. 2008-04-24 US claimed
US-20040044072-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2004-03-04 US claimed
US-20080096942-A1 Substituted Hydroxyethylamines ELAN PHARMACEUTICALS, INC. 2008-04-24 US disclosed
US-7312360-B2 Substituted hydroxyethylamines ELAN PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
EP-1453788-A1 SUBSTITUTED HYDROXYETHYLAMINES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP disclosed
US-20040044072-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2004-03-04 US disclosed
WO-2003050073-A1 SUBSTITUTED HYDROXYETHYLAMINES ELAN PHARMACEUTICALS, INC. (US) 2003-06-19 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 (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-20080096942-A1 Substituted Hydroxyethylamines BACE1, BACE2, MME BACE1 1/4885CTSB 171/4885CTSD 409/4885
US-20040044072-A1 Substituted hydroxyethylamines BACE1, BACE2, PSEN1 BACE1 1/4885CTSB 157/4885CTSD 283/4885

“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.