SCHEMBL5435261

SCHEMBL5435261

COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)O)c1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.72
BACE2 Q9Y5Z0 1/20 0.68
BCHE P06276 1/20 0.65
CTSD P07339 1/20 0.63

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
SCHEMBL5435269 1.00 BACE1 (0.72) BACE1BACE2BCHECTSD
SCHEMBL3348975 0.91 BACE1 (0.63) BACE1BACE2CTSD
SCHEMBL3348968 0.91 BACE1 (0.63) BACE1BACE2CTSD
SCHEMBL3510079 0.91 BCHE (0.77) BACE1BCHECTSD
SCHEMBL6896962 0.91 BCHE (0.77) BACE1BCHECTSD
SCHEMBL3354210 0.91 BCHE (0.77) BACE1BCHECTSD
SCHEMBL3354218 0.91 BCHE (0.77) BACE1BCHECTSD
SCHEMBL3490229 0.89 CTSD (0.69) BACE1BCHECTSD
SCHEMBL3490234 0.89 CTSD (0.69) BACE1BCHECTSD
SCHEMBL5448502 0.88 BACE1 (0.67) BACE1BACE2BCHECTSD

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-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 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 (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-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP BACE1 4/4885BACE2 9/4885BCHE 12/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT BACE1 7/4885BACE2 11/4885BCHE 8/4885

“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.