SCHEMBL4304053

SCHEMBL4304053

FCCc1cc(C#Cc2ccc(F)c(OCC(F)F)c2)ccc1OC(F)F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.38
CTSD P07339 2/20 0.38
BACE1 P56817 2/20 0.38
BACE2 Q9Y5Z0 2/20 0.38
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
GRM4 Q14833 1/20 0.31
TRPV4 Q9HBA0 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
SCHEMBL4304458 0.87 REN (0.42) RENCTSDBACE1BACE2GRM4
SCHEMBL4306489 0.81 L3MBTL1 (0.31) HTR2AHTR2C
SCHEMBL4318349 0.81 BACE1 (0.51) RENCTSDBACE1BACE2GRM4
SCHEMBL4306233 0.81 FFAR1 (0.39)
SCHEMBL4305531 0.79 REN (0.39) RENCTSDBACE1BACE2
SCHEMBL27801223 0.78 GRIN2B (0.33) RENCTSDBACE1BACE2
SCHEMBL4309737 0.78 REN (0.37) RENCTSDBACE1BACE2HTR2A
SCHEMBL4308877 0.78 BACE1 (0.41) RENCTSDBACE1BACE2HTR2A
SCHEMBL4313836 0.76 HTR2A (0.38) RENCTSDBACE1BACE2HTR2A
SCHEMBL4308616 0.74 PDE4A (0.31)

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-2137161-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5- PHENYLIMIDAZOLONE COMPOUNDS AS ß-SECRETASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-12-30 EP disclosed
US-20090042964-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS AS BETA-SECRETASE INHIBITORS WYETH (US) 2009-02-12 US disclosed
WO-2008115552-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5- PHENYLIMIDAZOLONE COMPOUNDS AS ß-SECRETASE INHIBITORS WYETH (US) 2008-09-25 WO 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 REN 2367/4885CTSD 88/4885BACE1 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.