SCHEMBL14727845

SCHEMBL14727845

CCn1nc(Oc2ccc(C(F)(F)F)cc2)cc1-c1cccc(C2(NS(=O)(=O)NCC3CCC3)COC2)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.33
FAAH O00519 3/20 0.33
ACP1 P24666 1/20 0.32
MET P08581 1/20 0.32
KDR P35968 1/20 0.32
USP30 Q70CQ3 1/20 0.32
MDM2 Q00987 1/20 0.31
CNR2 P34972 1/20 0.31
TGFBR1 P36897 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MGLL Q99685 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
SCHEMBL14718047 0.89 SCN9A (0.35) SCN9AMETKDR
SCHEMBL14727846 0.88 SCN9A (0.35) SCN9AFAAHMETKDRMGLL
SCHEMBL14727842 0.88 SCN9A (0.34) SCN9AMETKDR
SCHEMBL14727841 0.86 SCN9A (0.37) SCN9AMETKDR
SCHEMBL14717677 0.84 SCN9A (0.36) SCN9AMETKDR
SCHEMBL1661814 0.82 KDR (0.37) SCN9AMETKDRALDH1A1
SCHEMBL1661680 0.81 FAAH (0.37) SCN9AFAAHMETKDRALDH1A1
SCHEMBL14718140 0.81 SCN9A (0.34) SCN9AFAAHACP1MDM2MGLL
SCHEMBL14718211 0.81 MET (0.38) SCN9AMETKDR
SCHEMBL1658919 0.81 KDR (0.36) SCN9AMETKDR

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 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

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 1887/4885FAAH 55/4885ACP1 3774/4885

“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.