SCHEMBL4313892

SCHEMBL4313892

O=C(C(=O)c1ccc(OC(F)F)c(C2CC2)c1)c1ccc(F)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 11/20 0.39
PDE4A P27815 8/20 0.39
PDE4B Q07343 8/20 0.39
PDE4C Q08493 8/20 0.39
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
PTGDR Q13258 1/20 0.36
TNF P01375 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCL9 O00512 1/20 0.33
CTNNB1 P35222 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL4315738 0.88 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CPTGDR2
SCHEMBL4306393 0.83 PDE4A (0.39) PDE4DPDE4APDE4BPDE4CPTGDR2
SCHEMBL4306443 0.81 PDE4B (0.41) PDE4DPDE4APDE4BPDE4CPTGDR2
SCHEMBL4309627 0.80 PDE4B (0.40) PDE4DPDE4APDE4BPDE4CPTGDR2
SCHEMBL4315995 0.80 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CPTGDR2
SCHEMBL4313438 0.80 CES2 (0.40) PDE4DPDE4APDE4BPDE4CCES2
SCHEMBL4312390 0.79 KMO (0.42) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL28872052 0.79 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CPTGDR2
SCHEMBL4309529 0.79 CES2 (0.39) PDE4DPDE4APDE4BPDE4CCES2
SCHEMBL27801238 0.78 PARP1 (0.36) PDE4DPDE4APDE4BPDE4CPTGDR2

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 PDE4D 955/4885PDE4A 894/4885PDE4B 702/4885

“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.