SCHEMBL2797936

SCHEMBL2797936

Cc1cc(C(=O)C(=O)c2ccc(OC(F)F)c(C)c2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.44
▸ CES1 P23141 2/20 0.44
▸ TSHR P16473 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ PDE4A P27815 4/20 0.38
▸ PDE4B Q07343 4/20 0.38
▸ PDE4C Q08493 4/20 0.38
▸ PDE4D Q08499 4/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ HTT P42858 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4309410 0.92 CES2 (0.44) CES2CES1TSHRHTR2AHTR2C
SCHEMBL21387011 0.90 HDAC1 (0.46) CES2CES1PDE4APDE4BPDE4C
SCHEMBL4313438 0.89 CES2 (0.40) CES2CES1TSHRHTR2AHTR2C
SCHEMBL8160796 0.88 CES2 (0.48) CES2CES1TSHRHTR2AHTR2C
SCHEMBL21387055 0.88 CES2 (0.53) CES2CES1TSHRHTR2AHTR2C
SCHEMBL4322471 0.88 TSHR (0.42) CES2CES1TSHRHTR2AHTR2C
SCHEMBL15956511 0.87 CES2 (0.47) CES2CES1TSHRHTR2AHTR2C
SCHEMBL4315262 0.85 TAS1R3 (0.47) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL4316039 0.85 CES2 (0.58) CES2CES1TSHRPDE4APDE4B
SCHEMBL2794479 0.85 ALOX15 (0.47) CES2CES1HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168194-A1 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone Compounds For The Inhibition Of Beta-secretase WYETH LLC (US) 2010-07-01 — — US disclosed
US-7723368-B2 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase WYETH LLC (US) 2010-05-25 — — US disclosed
EP-2144884-A2 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE Wyeth a Corporation of the State of Delaware (US) 2010-01-20 — — EP disclosed
US-20090048320-A1 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-02-19 — — US disclosed
WO-2008118379-A2 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF β-SECRETASE WYETH (US) 2008-10-02 — — 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 (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-20090048320-A1 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE BACE1, BACE2, APP CES2 2310/4885CES1 1210/4885TSHR 4675/4885
US-20100168194-A1 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone Compounds For The Inhibition Of Beta-secretase BACE1, BACE2, APP CES2 2310/4885CES1 1210/4885TSHR 4675/4885

“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.

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