SCHEMBL8160796

SCHEMBL8160796

Cc1cc(C(=O)C(=O)c2ccc(F)cc2)ccc1OC(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.48
▸ CES1 P23141 3/20 0.48
▸ HTT P42858 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PDE4A P27815 4/20 0.38
▸ PDE4B Q07343 4/20 0.38
▸ PDE4C Q08493 4/20 0.38
▸ PDE4D Q08499 4/20 0.38
▸ BACE1 P56817 3/20 0.38
▸ APP P05067 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ HTR2A P28223 1/20 0.37

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) CES2CES1HTTSMN1; SMN2PDE4A
SCHEMBL15956511 0.90 CES2 (0.47) CES2CES1HTTSMN1; SMN2PDE4A
SCHEMBL4316039 0.88 CES2 (0.58) CES2CES1HTTSMN1; SMN2PDE4A
SCHEMBL2797936 0.88 CES2 (0.44) CES2CES1HTTSMN1; SMN2PDE4A
SCHEMBL21387055 0.88 CES2 (0.53) CES2CES1HTTSMN1; SMN2PDE4A
SCHEMBL15956962 0.87 CES2 (0.56) CES2CES1HTTSMN1; SMN2BACE1
SCHEMBL21387011 0.87 HDAC1 (0.46) CES2CES1HTTSMN1; SMN2PDE4A
SCHEMBL15956474 0.86 BACE1 (0.43) CES2CES1HTTSMN1; SMN2PDE4A
SCHEMBL4313438 0.83 CES2 (0.40) CES2CES1HTTSMN1; SMN2PDE4A
SCHEMBL4312595 0.82 SMN1; SMN2 (0.47) CES2CES1HTTSMN1; SMN2PDE4A

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
US-20090042964-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS AS BETA-SECRETASE INHIBITORS WYETH (US) 2009-02-12 — — US 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 CES2 2959/4885CES1 1257/4885HTT 574/4885

“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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