SCHEMBL933994

SCHEMBL933994

CC(C)(C)OC(=O)NC1=N[C@@]2(c3ccc(F)c(OS(=O)(=O)C(F)(F)F)c3)CCCC2CS1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
RORC P51449 15/20 0.33
KCNN4 O15554 1/20 0.31
BRAF P15056 1/20 0.30

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
SCHEMBL934033 1.00 BACE1 (0.35) BACE1BACE2RORCKCNN4BRAF
SCHEMBL934034 1.00 BACE1 (0.35) BACE1BACE2RORCKCNN4BRAF
SCHEMBL933997 1.00 BACE1 (0.35) BACE1BACE2RORCKCNN4BRAF
SCHEMBL968451 0.88 BACE1 (0.38) BACE1BACE2RORCKCNN4BRAF
SCHEMBL12855079 0.88 BACE1 (0.36) BACE1BACE2KCNN4BRAF
SCHEMBL969477 0.85 BACE1 (0.39) BACE1BACE2BRAF
SCHEMBL18192806 0.79 BACE1 (0.40) BACE1BACE2KCNN4
SCHEMBL18192862 0.79 BACE1 (0.40) BACE1BACE2KCNN4
SCHEMBL13177595 0.77 BACE1 (0.49) BACE1BACE2
SCHEMBL8035988 0.77 BACE1 (0.49) BACE1BACE2

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 5 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
EP-2451793-A1 BACE INHIBITORS Eli Lilly and Company (US) 2012-05-16 EP disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 US disclosed
WO-2011005738-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 WO 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.