SCHEMBL5347408

SCHEMBL5347408

CC(C)CS(=O)(=O)NCCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(I)c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.62
CTSD P07339 10/20 0.62
BCHE P06276 3/20 0.53

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
SCHEMBL5347417 1.00 BACE1 (0.62) BACE1CTSDBCHE
Trifluoroacetic Acid SCHEMBL3349179 0.96 BACE1 (0.58) BACE1CTSDBCHE
SCHEMBL5349744 0.92 BACE1 (0.61) BACE1CTSD
SCHEMBL3349185 0.85 BACE1 (0.49) BACE1CTSDBCHE
SCHEMBL6698501 0.80 BACE1 (0.77) BACE1CTSDBCHE
SCHEMBL3351647 0.79 BACE1 (0.63) BACE1CTSDBCHE
SCHEMBL3351639 0.79 BACE1 (0.63) BACE1CTSDBCHE
SCHEMBL3348470 0.78 BACE1 (0.45) BACE1CTSD
SCHEMBL3356997 0.76 BACE1 (0.68) BACE1CTSDBCHE
SCHEMBL3357005 0.76 BACE1 (0.68) BACE1CTSDBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 US claimed
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 US claimed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 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 4/4885CTSD 2080/4885BCHE 12/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT BACE1 7/4885CTSD 1351/4885BCHE 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.