SCHEMBL968451

SCHEMBL968451

COc1cc(C23CCCC2CSC(NC(=O)OC(C)(C)C)=N3)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
RORC P51449 9/20 0.37
HRH2 P25021 1/20 0.33
TRPC5 Q9UL62 1/20 0.33
CACNA1H O95180 1/20 0.33
KCNN4 O15554 2/20 0.33
CTSD P07339 1/20 0.32
BRAF P15056 1/20 0.32
F10 P00742 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL12855079 0.91 BACE1 (0.36) BACE1BACE2KCNN4BRAFF10
SCHEMBL969477 0.89 BACE1 (0.39) BACE1BACE2BRAF
SCHEMBL933994 0.88 BACE1 (0.35) BACE1BACE2RORCKCNN4BRAF
SCHEMBL934033 0.88 BACE1 (0.35) BACE1BACE2RORCKCNN4BRAF
SCHEMBL934034 0.88 BACE1 (0.35) BACE1BACE2RORCKCNN4BRAF
SCHEMBL933997 0.88 BACE1 (0.35) BACE1BACE2RORCKCNN4BRAF
SCHEMBL18192862 0.88 BACE1 (0.40) BACE1BACE2HRH2TRPC5CACNA1H
SCHEMBL18192806 0.88 BACE1 (0.40) BACE1BACE2HRH2TRPC5CACNA1H
SCHEMBL13177595 0.81 BACE1 (0.49) BACE1BACE2CTSD
SCHEMBL8035988 0.81 BACE1 (0.49) 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 2/4885RORC 2886/4885

“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.