SCHEMBL2285462

SCHEMBL2285462

O=CONC1=NC(c2cccc(-c3cccnc3F)c2)(c2ccc(OC(F)F)cc2F)CO1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.57
CTSD P07339 15/20 0.57
BACE2 Q9Y5Z0 10/20 0.44
HDAC6 Q9UBN7 1/20 0.34
REN P00797 1/20 0.34

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
SCHEMBL2281242 0.91 BACE1 (0.70) BACE1CTSDBACE2REN
SCHEMBL2281268 0.88 BACE1 (0.43) BACE1CTSDBACE2HDAC6
SCHEMBL2281323 0.86 BACE1 (0.45) BACE1CTSDHDAC6
SCHEMBL2283800 0.86 BACE1 (0.41) BACE1CTSDHDAC6
SCHEMBL2283811 0.85 BACE1 (0.42) BACE1CTSDBACE2HDAC6
Formic Acid SCHEMBL2285459 0.84 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL7863670 0.84 BACE1 (0.80) BACE1CTSDBACE2
SCHEMBL2282250 0.84 BACE1 (0.38) BACE1CTSDBACE2HDAC6
SCHEMBL2286793 0.83 BACE1 (0.55) BACE1CTSDBACE2
SCHEMBL2288056 0.83 BACE1 (0.44) BACE1CTSDBACE2HDAC6

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.