SCHEMBL1660140

SCHEMBL1660140

CCn1nc(-c2cccc(C3(NS(=O)(=O)CC(F)(F)F)COC3)c2)cc1Oc1ccc(C#N)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.35
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
AR P10275 1/20 0.32
CYP11B1 P15538 2/20 0.30
CYP11B2 P19099 2/20 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
SCHEMBL14727905 0.92 AR (0.35) SCN9ALMNAARCYP11B1CYP11B2
SCHEMBL1658570 0.91 MMP2 (0.31) SCN9A
SCHEMBL1659926 0.90
SCHEMBL1660081 0.90 SCN9A (0.34) SCN9AKDM4ELMNA
SCHEMBL1660814 0.85 SCN9A (0.31) SCN9A
SCHEMBL14727808 0.85 MMP2 (0.33) SCN9A
SCHEMBL1659815 0.83 MMP2 (0.34) SCN9A
SCHEMBL14718352 0.83 TGFBR1 (0.30) SCN9A
SCHEMBL1660146 0.82 MMP2 (0.33) SCN9A
SCHEMBL14727922 0.82 NTRK1 (0.33)

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
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-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
WO-2011046774-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-21 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-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS BACE1, BACE2, GSAP SCN9A 1887/4885KDM4E 339/4885LMNA 2158/4885

“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.