SCHEMBL14718047

SCHEMBL14718047

CCn1nc(Oc2ccc(C(F)(F)F)cc2)cc1-c1cccc(C2(NS(=O)(=O)NCC(F)(F)F)COC2)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.35
MET P08581 1/20 0.34
KDR P35968 1/20 0.34
IDO1 P14902 1/20 0.32
SCN10A Q9Y5Y9 2/20 0.32
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31

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
SCHEMBL14727842 0.92 SCN9A (0.34) SCN9AMETKDRIDO1MMP2
SCHEMBL14727841 0.90 SCN9A (0.37) SCN9AMETKDRIDO1MMP2
SCHEMBL14717677 0.89 SCN9A (0.36) SCN9AMETKDRIDO1MMP2
SCHEMBL14727845 0.89 SCN9A (0.33) SCN9AMETKDR
SCHEMBL14727846 0.89 SCN9A (0.35) SCN9AMETKDRMMP2MMP3
SCHEMBL14717813 0.87 MET (0.31) SCN9AMETKDRIDO1MMP2
SCHEMBL1661814 0.85 KDR (0.37) SCN9AMETKDRIDO1MMP2
SCHEMBL14718211 0.84 MET (0.38) SCN9AMETKDRIDO1MMP2
SCHEMBL1658919 0.84 KDR (0.36) SCN9AMETKDRIDO1MMP2
SCHEMBL14718042 0.82 SCN9A (0.37) SCN9AMETKDRIDO1MMP2

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 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 SCN9A 1887/4885MET 3564/4885KDR 3527/4885

“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.