SCHEMBL14717893

SCHEMBL14717893

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.34
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
DAGLA Q9Y4D2 1/20 0.31
BACE1 P56817 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
SCHEMBL14717895 0.88 SCN9A (0.31) SCN9ACYP11B1CYP11B2
SCHEMBL1660140 0.81 SCN9A (0.35) SCN9ACYP11B1CYP11B2
SCHEMBL1660081 0.80 SCN9A (0.34) SCN9A
SCHEMBL1661829 0.80 KCNN4 (0.33) SCN9A
SCHEMBL14727905 0.79 AR (0.35) SCN9ACYP11B1CYP11B2BACE1
SCHEMBL1660271 0.76 SCN9A (0.30) SCN9A
SCHEMBL14718267 0.75 KCNN4 (0.32) SCN9A
SCHEMBL1660033 0.75 LMNA (0.32) SCN9A
SCHEMBL1660814 0.74 SCN9A (0.31) SCN9A
SCHEMBL1661602 0.73 SCN9A (0.32) 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 2 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

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 1887/4885CYP11B1 1011/4885CYP11B2 1463/4885

“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.