SCHEMBL2288080

SCHEMBL2288080

Cc1cncc(-c2cccc(C3(c4ccc(OC(F)F)cc4C)COC(NOC=O)=N3)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.36
CTSD P07339 4/20 0.36
BACE2 Q9Y5Z0 1/20 0.34
KCNH2 Q12809 1/20 0.32
PTGS2 P35354 2/20 0.31
KMT2A Q03164 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
SCHEMBL2282249 0.93 BACE1 (0.41) BACE1CTSDBACE2KCNH2
SCHEMBL2277570 0.92 BACE1 (0.42) BACE1CTSDBACE2KCNH2PTGS2
SCHEMBL2281313 0.92 BACE1 (0.37) BACE1CTSDBACE2KCNH2PTGS2
SCHEMBL2279812 0.92 BACE1 (0.43) BACE1CTSDBACE2KCNH2
SCHEMBL2287387 0.92 BACE1 (0.44) BACE1CTSDBACE2KCNH2
SCHEMBL2284524 0.88 BACE1 (0.43) BACE1CTSDKCNH2KMT2A
SCHEMBL2288056 0.87 BACE1 (0.44) BACE1CTSDBACE2
SCHEMBL2281739 0.86 BACE1 (0.46) BACE1CTSDBACE2
SCHEMBL2282250 0.85 BACE1 (0.38) BACE1CTSDBACE2KCNH2
Formic Acid SCHEMBL2288076 0.84 BACE1 (0.47) BACE1CTSDBACE2KCNH2

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-2245019-B1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-14 EP disclosed
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.