SCHEMBL14718229

SCHEMBL14718229

CCn1nc(-c2cccc(C(C)(C)NS(=O)(=O)CC(F)(F)F)c2)c(C#N)c1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
SCN9A Q15858 15/20 0.37
KCNK3 O14649 1/20 0.36
KDM5A P29375 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL14718104 0.89 PTGDR2 (0.36) SCN9AKCNK3KDM5APTGDR2SMN1; SMN2
SCHEMBL1660442 0.88 SMN1; SMN2 (0.33) SCN9AKCNK3PTGDR2SMN1; SMN2
SCHEMBL14717976 0.88 SMN1; SMN2 (0.33) SCN9AKCNK3PTGDR2SMN1; SMN2
SCHEMBL14730955 0.88 PTGDR2 (0.33) SCN9AKCNK3PTGDR2SMN1; SMN2
SCHEMBL1660640 0.88 PTGDR2 (0.33) SCN9AKCNK3PTGDR2SMN1; SMN2
SCHEMBL14717940 0.88 PTGDR2 (0.33) SCN9AKCNK3PTGDR2SMN1; SMN2
SCHEMBL6904451 0.88 SMN1; SMN2 (0.36) SCN9APTGDR2SMN1; SMN2
SCHEMBL14717156 0.80 SCN9A (0.37) SCN9A
SCHEMBL14717715 0.80 PTGS2 (0.34) SCN9A
SCHEMBL6902687 0.78 LMNA (0.32) SCN9ASMN1; SMN2

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 POLB 3940/4885SCN9A 1887/4885KCNK3 3807/4885

“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.