SCHEMBL14718157

SCHEMBL14718157

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PRKD1 Q15139 1/20 0.32
MAPK1 P28482 1/20 0.32
ELANE P08246 8/20 0.32
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HDAC1 Q13547 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
F2 P00734 1/20 0.31
GCGR P47871 1/20 0.30

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
SCHEMBL1662376 0.90 PPARA (0.36) PPARAPPARGPPARDPRKD1ELANE
SCHEMBL14717999 0.89 ELANE (0.33) PPARAPPARGPPARDELANEALDH1A1
SCHEMBL14717913 0.88 PPARG (0.34) PPARAPPARGPPARDPRKD1ELANE
SCHEMBL1658567 0.88 NR1H2 (0.35) PPARAPPARGPPARDELANEALDH1A1
SCHEMBL14718606 0.87 CETP (0.31) ELANEALDH1A1HDAC1KDM4ECYP1A2
SCHEMBL6903520 0.86 RXRA (0.37) ALDH1A1HDAC1KDM4ECYP2C9
SCHEMBL1658931 0.86 MAOB (0.35) ALDH1A1HDAC1KDM4ECYP1A2CYP2D6
SCHEMBL14718002 0.86 ALDH1A1 (0.39) MAPK1ALDH1A1L3MBTL1KDM4EF2
SCHEMBL6902321 0.86 TGFBR1 (0.34) HDAC1
SCHEMBL14718410 0.85 BRD4 (0.31) HDAC1

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 8 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
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.