SCHEMBL5586129

SCHEMBL5586129

COCCN(C[C@@H]1C[C@H]1C)c1cc(C(=O)O)cc(N(C)S(C)(=O)=O)n1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.55

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
SCHEMBL5586128 1.00 BACE1 (0.55) BACE1
SCHEMBL832970 1.00 BACE1 (0.55) BACE1
SCHEMBL5649542 0.91 BACE1 (0.55) BACE1
SCHEMBL5649539 0.91 BACE1 (0.55) BACE1
SCHEMBL5650686 0.90 BACE1 (0.60) BACE1
SCHEMBL5650689 0.90 BACE1 (0.60) BACE1
SCHEMBL5652774 0.90 BACE1 (0.49) BACE1
SCHEMBL12578574 0.90 BACE1 (0.49) BACE1
Hydrochloric Acid SCHEMBL5585991 0.89 BACE1 (0.59) BACE1
SCHEMBL2026818 0.89 BACE1 (0.68) BACE1

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-8394837-B2 2,3,4,6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme, Corp. (US) 2013-03-12 US disclosed
EP-1817311-B1 2,3,4,6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20070293497-A1 2,3,4,6-Substituted Pyridyl Derivative Compounds Useful As Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease MERCK SHARP & DOHME LLC 2007-12-20 US disclosed
EP-1817311-A2 2,3,4,6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2007-08-15 EP disclosed
WO-2006057945-A2 2,3,4,6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2006-06-01 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 (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-20070293497-A1 2,3,4,6-Substituted Pyridyl Derivative Compounds Useful As Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease BACE1, BACE2, PSEN2 BACE1 1/4885

“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.