SCHEMBL9923669

SCHEMBL9923669

CN1C(=O)C[C@@](C)(c2cc(-c3cccc(S(F)(F)(F)(F)F)c3)ccc2F)N/C1=N/C(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.33
PGR P06401 2/20 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
SCHEMBL9923668 0.92 BACE1 (0.31) BACE1PGR
SCHEMBL9923665 0.87 BACE1 (0.35) BACE1
SCHEMBL9923667 0.83 BACE1 (0.37) BACE1
SCHEMBL9924971 0.83 BACE1 (0.37) BACE1
SCHEMBL9923664 0.83 BACE1 (0.36) BACE1
SCHEMBL9923756 0.81 PGR (0.32) BACE1PGR
SCHEMBL9923666 0.75 BACE1 (0.31) BACE1
SCHEMBL9923755 0.72 PGR (0.34) PGR
SCHEMBL9923745 0.70 BACE1 (0.33) BACE1
SCHEMBL3209 0.70 BACE1 (0.33) BACE1

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-2485590-B1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2015-01-07 EP disclosed
US-8557826-B2 Pentafluorosulfur imino heterocyclic compounds as BACE-1 inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-20120148603-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-06-14 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-20120148603-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 BACE1 1/4885PGR 3043/4885

“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.