SCHEMBL4308508

SCHEMBL4308508

Cc1cc(C(=O)C(=O)c2cccc(C#CCO)c2)ccc1OC(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
REN P00797 1/20 0.35
CTSD P07339 1/20 0.35
CYP3A4 P08684 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
ACACB O00763 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 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
SCHEMBL4306878 0.91 BACE1 (0.38) CES2CES1PDE4APDE4BPDE4C
SCHEMBL4315708 0.91 BACE1 (0.38) CES2CES1PDE4APDE4BPDE4C
SCHEMBL4309772 0.88 ACACB (0.37) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL2798054 0.83 MRGPRX4 (0.46) MAPK14RENCTSDBACE1BACE2
SCHEMBL4315696 0.82 BACE1 (0.52) CES2CES1PDE4APDE4BPDE4C
SCHEMBL4309410 0.80 CES2 (0.44) CES2CES1PDE4APDE4BPDE4C
SCHEMBL4309868 0.80 BACE1 (0.38) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4312595 0.79 SMN1; SMN2 (0.47) CES2CES1PDE4APDE4BPDE4C
SCHEMBL4316039 0.79 CES2 (0.58) CES2CES1PDE4APDE4BPDE4C
SCHEMBL15956962 0.78 CES2 (0.56) CES2CES1SMN1; SMN2BACE1MEN1

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 MAPK14 2244/4885CES2 2959/4885CES1 1257/4885

“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.