SCHEMBL5345496

SCHEMBL5345496

COc1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)CCC(C)C)c1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.77
CTSD P07339 12/20 0.75
BCHE P06276 1/20 0.64
CYP3A4 P08684 1/20 0.54

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
SCHEMBL5345491 1.00 BACE1 (0.77) BACE1CTSDBCHECYP3A4
SCHEMBL5348226 0.95 BACE1 (0.80) BACE1CTSDBCHECYP3A4
SCHEMBL5348229 0.95 BACE1 (0.80) BACE1CTSDBCHECYP3A4
SCHEMBL5652580 0.88 BACE1 (0.68) BACE1CTSDBCHECYP3A4
SCHEMBL5652585 0.88 BACE1 (0.68) BACE1CTSDBCHECYP3A4
SCHEMBL14348054 0.88 BACE1 (0.68) BACE1CTSDBCHECYP3A4
Hydrochloric Acid SCHEMBL3349738 0.87 BACE1 (0.67) BACE1CTSDBCHECYP3A4
Hydrochloric Acid SCHEMBL3349741 0.87 BACE1 (0.67) BACE1CTSDBCHECYP3A4
SCHEMBL6648504 0.87 BACE1 (1.00) BACE1CTSDBCHE
SCHEMBL6648502 0.87 BACE1 (1.00) 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.