SCHEMBL14718140

SCHEMBL14718140

CCn1nc(Oc2ccc(C(F)(F)F)cc2)cc1-c1cccc(C2(N(CC3CCC3)S(N)(=O)=O)COC2)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.34
KCNN4 O15554 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
MGLL Q99685 1/20 0.31
MDM2 Q00987 1/20 0.31
FAAH O00519 1/20 0.31
ACP1 P24666 1/20 0.30
PIK3CD O00329 1/20 0.30
LIPE Q05469 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
SCHEMBL14718141 0.89 MDM2 (0.31) SCN9AKCNN4MGLLMDM2FAAH
SCHEMBL14717903 0.89 SCN9A (0.34) SCN9AKCNN4MGLLFAAHPIK3CD
SCHEMBL14717904 0.85 SCN9A (0.33) SCN9AKCNN4MGLLFAAHPIK3CD
SCHEMBL14727845 0.81 SCN9A (0.33) SCN9AMGLLMDM2FAAHACP1
SCHEMBL1658711 0.80 SCN9A (0.34) SCN9ALIPE
SCHEMBL14727841 0.78 SCN9A (0.37) SCN9A
SCHEMBL14727846 0.78 SCN9A (0.35) SCN9AMGLLFAAH
SCHEMBL14717677 0.76 SCN9A (0.36) SCN9A
SCHEMBL1661829 0.76 KCNN4 (0.33) SCN9AKCNN4
SCHEMBL14718047 0.75 SCN9A (0.35) 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 4 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-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 SCN9A 1887/4885KCNN4 4498/4885OPRM1 4374/4885

“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.