SCHEMBL6902687

SCHEMBL6902687

CCn1nc(Oc2ccc(C(F)(F)F)cc2)c(Br)c1-c1cccc(C(C)(C)NS(=O)(=O)CC(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
SCN9A Q15858 4/20 0.32
GCGR P47871 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
EPAS1 Q99814 1/20 0.31
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
MCTS1 Q9ULC4 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 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
SCHEMBL14718164 0.90 LMNA (0.35) LMNASMN1; SMN2SCN9AGCGRKDM4E
SCHEMBL1660442 0.85 SMN1; SMN2 (0.33) SMN1; SMN2MMP2MMP9MMP3MMP8
SCHEMBL14717156 0.82 SCN9A (0.37) SCN9ASLC16A3SLC16A1MCTS1
SCHEMBL14717715 0.82 PTGS2 (0.34) MMP2MMP9MMP3MMP8MMP13
SCHEMBL14717976 0.80 SMN1; SMN2 (0.33) LMNASMN1; SMN2SCN9AGCGRSLC16A3
SCHEMBL1660640 0.80 PTGDR2 (0.33) SMN1; SMN2MMP2MMP9MMP3MMP8
SCHEMBL14730955 0.80 PTGDR2 (0.33) SMN1; SMN2MMP2MMP9MMP3MMP8
SCHEMBL14717940 0.79 PTGDR2 (0.33) SMN1; SMN2SCN9AGCGRBRD9
SCHEMBL6904451 0.79 SMN1; SMN2 (0.36) LMNASMN1; SMN2SCN9AGCGRNPSR1
SCHEMBL14718229 0.78 POLB (0.38) SMN1; SMN2SCN9A

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 5 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
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 LMNA 2158/4885SMN1; SMN2 3441/4885MMP2 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.