SCHEMBL968862

SCHEMBL968862

O=C(O)NC1=N[C@@]2(c3cc(-c4cncnc4)c(F)cc3F)CCOCC2CS1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.39
BACE2 Q9Y5Z0 4/20 0.39
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
SCHEMBL18195504 0.88 BACE1 (0.38) BACE1BACE2CTSD
SCHEMBL970751 0.88 BACE1 (0.38) BACE1BACE2CTSD
SCHEMBL968037 0.88 BACE1 (0.38) BACE1BACE2CTSD
SCHEMBL18192821 0.83 BACE1 (0.37) BACE1BACE2
SCHEMBL18192837 0.83 BACE1 (0.37) BACE1BACE2
SCHEMBL12851842 0.82 BACE1 (0.53) BACE1BACE2CTSD
Hydrochloric Acid SCHEMBL967526 0.82 BACE1 (0.53) BACE1BACE2CTSD
SCHEMBL18192805 0.81 BACE1 (0.44) BACE1BACE2CTSD
SCHEMBL18192849 0.81 BACE1 (0.44) BACE1BACE2CTSD
SCHEMBL12694657 0.80 BACE1 (0.41) BACE1BACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 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 (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-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 28/4885

“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.