SCHEMBL14718007

SCHEMBL14718007

CCn1nc(Oc2ccc(C(F)(F)F)cn2)cc1-c1ccc2c(c1)CC(NS(=O)(=O)NCC(F)(F)F)C2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 11/20 0.39
NR1H2 P55055 2/20 0.37
SCN9A Q15858 6/20 0.37
SCN10A Q9Y5Y9 2/20 0.37
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL14718212 0.91 GRIA2 (0.40) GRIA2NR1H2SCN9ASCN10A
SCHEMBL14727891 0.84 GRIA2 (0.41) GRIA2NR1H2SCN9A
SCHEMBL14718124 0.83 GRIA2 (0.41) GRIA2NR1H2SCN9A
SCHEMBL14717802 0.81 GRIA2 (0.43) GRIA2NR1H2SCN9A
SCHEMBL14718021 0.81 GRIA2 (0.41) GRIA2NR1H2SCN9A
SCHEMBL14718348 0.78 GRIA2 (0.39) GRIA2NR1H2
SCHEMBL14727894 0.71 GRIA2 (0.40) GRIA2NR1H2
SCHEMBL1660000 0.71 SCN9A (0.35) GRIA2NR1H2SCN9A
SCHEMBL14718526 0.70 MAPK1 (0.39) SCN9ASCN10A
SCHEMBL6902712 0.70 SCN9A (0.36) SCN9A

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 GRIA2 1212/4885NR1H2 25/4885SCN9A 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.