SCHEMBL13953333

SCHEMBL13953333

CC(C)c1cc(C2(c3ccc(F)c(C4CC4)c3)N=C(N)N(C)C2=O)ccc1OC(F)F

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.60
CTSD P07339 5/20 0.60
BACE2 Q9Y5Z0 5/20 0.60
REN P00797 4/20 0.60
CYP3A4 P08684 2/20 0.60
APP P05067 2/20 0.56

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
SCHEMBL13953319 0.89 BACE1 (0.74) BACE1CTSDBACE2RENCYP3A4
SCHEMBL13953508 0.88 BACE1 (0.60) BACE1CTSDBACE2RENCYP3A4
SCHEMBL8143848 0.88 BACE1 (0.60) BACE1CTSDBACE2RENCYP3A4
SCHEMBL13953382 0.88 BACE1 (0.60) BACE1CTSDBACE2RENCYP3A4
SCHEMBL4309479 0.87 BACE1 (0.64) BACE1CTSDBACE2RENCYP3A4
SCHEMBL13264243 0.86 BACE1 (0.73) BACE1CTSDBACE2RENCYP3A4
SCHEMBL8190062 0.86 BACE1 (0.73) BACE1CTSDBACE2RENCYP3A4
SCHEMBL4311168 0.85 BACE1 (0.82) BACE1CTSDBACE2RENCYP3A4
SCHEMBL13953468 0.85 BACE1 (0.57) BACE1CTSDBACE2RENCYP3A4
SCHEMBL4312576 0.83 BACE1 (0.77) BACE1CTSDBACE2RENAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042964-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS AS BETA-SECRETASE INHIBITORS WYETH (US) 2009-02-12 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-20090042964-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP BACE1 1/4885CTSD 88/4885BACE2 2/4885

“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.