SCHEMBL1662376

SCHEMBL1662376

CCn1nc(-c2cccc(C(C)(C)NS(=O)(=O)CC(F)(F)F)c2)cc1Oc1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
CETP P11597 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
MAPK14 Q16539 2/20 0.33
F2 P00734 1/20 0.33
ALPL P05186 1/20 0.32
SCN9A Q15858 1/20 0.31
HDAC1 Q13547 1/20 0.31
PRKD1 Q15139 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ELANE P08246 1/20 0.31
TACR3 P29371 1/20 0.31
GCGR P47871 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL14717913 0.94 PPARG (0.34) PPARAPPARGPPARDSMN1; SMN2F2
SCHEMBL1661812 0.92 CETP (0.37) CETPKDM4EALDH1A1SMN1; SMN2SCN9A
SCHEMBL14718002 0.92 ALDH1A1 (0.39) KDM4EALDH1A1F2TP53NMT1
SCHEMBL1660391 0.92 F2 (0.35) PPARAPPARGPPARDCETPALDH1A1
SCHEMBL14717728 0.92 L3MBTL1 (0.38) PPARAPPARGPPARDALDH1A1SMN1; SMN2
SCHEMBL14717999 0.91 ELANE (0.33) PPARAPPARGPPARDCETPKDM4E
SCHEMBL14718606 0.91 CETP (0.31) CETPKDM4EALDH1A1SCN9AHDAC1
SCHEMBL14717937 0.90 GAA (0.37) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL1658567 0.90 NR1H2 (0.35) PPARAPPARGPPARDCETPKDM4E
SCHEMBL14718157 0.90 PPARA (0.34) PPARAPPARGPPARDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US claimed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 US claimed
EP-2488031-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-08-22 EP claimed
WO-2011046774-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-21 WO claimed
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 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 (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-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS BACE1, BACE2, GSAP PPARA 714/4885PPARG 1045/4885PPARD 450/4885

“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.