SCHEMBL7757972

SCHEMBL7757972

C=CCCCc1cccc(C#Cc2ccc(OC(F)F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.42
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.38
PTGES O14684 2/20 0.35
FFAR1 O14842 6/20 0.35
BACE1 P56817 6/20 0.35
DAO P14920 1/20 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
SCHEMBL13016927 0.84 ACACB (0.44) ACACBPPARGPPARAMRGPRX4PTGES
SCHEMBL7758227 0.84 ACACB (0.44) ACACBPPARGPPARAMRGPRX4PTGES
SCHEMBL3456499 0.84 BACE1 (0.47) ACACBPPARGPPARAMRGPRX4PTGES
SCHEMBL3456401 0.82 ACACB (0.46) ACACBPPARGPPARAMRGPRX4PTGES
SCHEMBL13016495 0.82 BACE1 (0.48) ACACBPPARGPPARAMRGPRX4PTGES
SCHEMBL7754880 0.82 BACE1 (0.48) ACACBPPARGPPARAMRGPRX4PTGES
SCHEMBL2791889 0.81 BACE1 (0.48) ACACBPPARGPPARAMRGPRX4PTGES
SCHEMBL2794353 0.81 BACE1 (0.46) ACACBPPARGPPARAMRGPRX4PTGES
SCHEMBL3455724 0.81 ACACB (0.48) ACACBPPARGPPARAMRGPRX4PTGES
SCHEMBL3456405 0.81 ACACB (0.44) ACACBPPARGPPARAMRGPRX4PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2256107-A1 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone compounds as inhibitors of the beta-secretase (BACE) Wyeth LLC (US) 2010-12-01 EP disclosed
US-20090012139-A1 AMINO-5-[4-(DIFLUOROMETHOXY) PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-01-08 US disclosed
US-20090012139-A1 AMINO-5-[4-(DIFLUOROMETHOXY) PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-01-08 US disclosed
US-7423158-B2 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of β-secretase WYETH (US) 2008-09-09 US disclosed
US-7423158-B2 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of β-secretase WYETH (US) 2008-09-09 US disclosed
WO-2007038271-A9 AMINO-5- [4- (DIFLUOROMETHOXY) PHENYL] -5-PHENYLIMIDAZOLONE COMPOUNDS AS INHIBITORS OF THE BETA-SECRETASE (BACE) WYETH CORP (US) 2008-05-08 WO disclosed
WO-2007038271-A1 AMINO-5- [4- (DIFLUOROMETHOXY) PHENYL] -5-PHENYLIMIDAZOLONE COMPOUNDS AS INHIBITORS OF THE BETA-SECRETASE (BACE) WYETH (US) 2007-04-05 WO disclosed
US-20070072925-A1 Amino-5-[4-(difluoromehtoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase WYETH (US) 2007-03-29 US disclosed
US-20070072925-A1 Amino-5-[4-(difluoromehtoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase WYETH (US) 2007-03-29 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 (2 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-20090012139-A1 AMINO-5-[4-(DIFLUOROMETHOXY) PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE BACE1, BACE2, APP ACACB 688/4885PPARG 3463/4885PPARA 3588/4885
US-20070072925-A1 Amino-5-[4-(difluoromehtoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase BACE1, BACE2, APP ACACB 594/4885PPARG 3304/4885PPARA 3481/4885

“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.