SCHEMBL2280098

SCHEMBL2280098

O=CONC1=NC(c2cccc(-c3cncc(Cl)c3)c2)(c2ccc(OC(F)F)c(F)c2)CO1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.37
CTSD P07339 5/20 0.36
BACE2 Q9Y5Z0 2/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL2283871 0.92 BACE1 (0.45) BACE1CTSDBACE2KCNH2
SCHEMBL2280403 0.85 BACE1 (0.43) BACE1CTSDBACE2KCNH2
SCHEMBL2286090 0.84 BACE1 (0.54) BACE1CTSDBACE2
Formic Acid SCHEMBL2280093 0.84 BACE1 (0.49) BACE1CTSDBACE2KCNH2
SCHEMBL2278025 0.84 BACE1 (0.41) BACE1CTSDBACE2KCNH2GRIN1
SCHEMBL2288026 0.84 BACE1 (0.45) BACE1CTSDBACE2
SCHEMBL2281620 0.84 BACE1 (0.35) BACE1CTSDBACE2
SCHEMBL2283530 0.83 BACE1 (0.53) BACE1CTSDBACE2KCNH2
SCHEMBL2283526 0.83 BACE1 (0.53) BACE1CTSDBACE2KCNH2
SCHEMBL2281739 0.83 BACE1 (0.46) BACE1CTSDBACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 US disclosed
US-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 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-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES BACE2, BACE1, PSEN2 BACE1 2/4885CTSD 721/4885BACE2 1/4885

“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.