SCHEMBL14718094

SCHEMBL14718094

CCn1nc(-c2cccc(C3(NS(=O)(=O)NCC(F)(F)F)CC3)c2)cc1Oc1ccc(C(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
IDO1 P14902 1/20 0.37
SCN9A Q15858 15/20 0.36
SCN10A Q9Y5Y9 4/20 0.35
LIPE Q05469 1/20 0.34
HPGD P15428 1/20 0.34
DAGLA Q9Y4D2 1/20 0.33

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
SCHEMBL1660327 0.92 MAPK1 (0.39) MAPK1IDO1SCN9ASCN10ALIPE
SCHEMBL14717651 0.91 MET (0.33) IDO1SCN9A
SCHEMBL1660348 0.90 MAPK1 (0.39) MAPK1IDO1SCN9ASCN10ALIPE
SCHEMBL14717730 0.88 SCN9A (0.37) MAPK1IDO1SCN9ASCN10ALIPE
SCHEMBL1660872 0.85 MAPK1 (0.36) MAPK1IDO1SCN9ASCN10ALIPE
SCHEMBL14717813 0.84 MET (0.31) IDO1SCN9A
SCHEMBL14718204 0.83 ALDH1A1 (0.34) SCN9A
SCHEMBL1660044 0.82 MMP2 (0.35) IDO1SCN9A
SCHEMBL14718158 0.81 MEN1 (0.33) SCN9A
SCHEMBL1659975 0.80 MMP2 (0.35) IDO1SCN9A

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 6 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-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 MAPK1 2015/4885IDO1 1854/4885SCN9A 1887/4885

“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.