SCHEMBL1660442

SCHEMBL1660442

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

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
SCN9A Q15858 5/20 0.32
GCGR P47871 1/20 0.31
TRPA1 O75762 1/20 0.31
EPAS1 Q99814 1/20 0.31
RORC P51449 1/20 0.31
KCNK3 O14649 2/20 0.31
BRD9 Q9H8M2 1/20 0.31
NPBWR1 P48145 1/20 0.30
MAOA P21397 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
SCHEMBL14717976 0.92 SMN1; SMN2 (0.33) SMN1; SMN2PTGDR2SCN9AGCGRTRPA1
SCHEMBL14730955 0.90 PTGDR2 (0.33) SMN1; SMN2PTGDR2MMP2MMP3MMP9
SCHEMBL1660640 0.90 PTGDR2 (0.33) SMN1; SMN2PTGDR2MMP2MMP3MMP9
SCHEMBL14717940 0.89 PTGDR2 (0.33) SMN1; SMN2PTGDR2SCN9AGCGRRORC
SCHEMBL6904451 0.89 SMN1; SMN2 (0.36) SMN1; SMN2PTGDR2SCN9AGCGRRORC
SCHEMBL14718229 0.88 POLB (0.38) SMN1; SMN2PTGDR2SCN9AKCNK3
SCHEMBL14718104 0.86 PTGDR2 (0.36) SMN1; SMN2PTGDR2SCN9AGCGRTRPA1
SCHEMBL6902687 0.85 LMNA (0.32) SMN1; SMN2MMP2MMP3MMP9MMP8
SCHEMBL14717715 0.82 PTGS2 (0.34) MMP2MMP3MMP9MMP8MMP13
SCHEMBL14717156 0.82 SCN9A (0.37) 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 11 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
EP-2488031-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-08-22 EP claimed
WO-2011046774-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-21 WO 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
WO-2011046774-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-21 WO 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 SMN1; SMN2 3441/4885PTGDR2 1751/4885MMP2 3936/4885

“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.