SCHEMBL2286947

SCHEMBL2286947

COc1ccc(F)c(-c2cc(C3(c4ccc(OC)c(Cl)c4)COC(NOC=O)=N3)ccc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.42
CTSD P07339 9/20 0.42
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
TP53 P04637 1/20 0.33
CTSA P10619 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
P2RX7 Q99572 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
SCHEMBL2278985 0.88 BACE1 (0.42) BACE1CTSD
SCHEMBL2284435 0.87 CTSD (0.48) BACE1CTSDMAPT
SCHEMBL2285187 0.86 BACE1 (0.40) BACE1CTSDMEN1MAPTKMT2A
SCHEMBL2286475 0.85 BACE1 (0.41) BACE1CTSDMEN1KMT2APOLB
SCHEMBL2282031 0.85 BACE1 (0.39) BACE1CTSD
SCHEMBL2279875 0.85 BACE1 (0.37) BACE1CTSD
Formic Acid SCHEMBL2286944 0.82 BACE1 (0.56) BACE1CTSD
SCHEMBL2283355 0.81 BACE1 (0.46) BACE1CTSD
SCHEMBL2284420 0.81 BACE1 (0.61) BACE1CTSD
SCHEMBL2284415 0.81 BACE1 (0.61) BACE1CTSD

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 721/4885MEN1 346/4885

“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.