SCHEMBL1658727

SCHEMBL1658727

CCn1nc(-c2cccc(C3(NS(=O)(=O)CC(F)(F)F)CC3)c2)cc1Oc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
KMT2A Q03164 2/20 0.38
PPARG P37231 3/20 0.37
HPGD P15428 2/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
MDM2 Q00987 1/20 0.34
SCN9A Q15858 2/20 0.34

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
SCHEMBL1660348 0.88 MAPK1 (0.39) HPGDSCN9A
SCHEMBL1659815 0.85 MMP2 (0.34) KMT2AMEN1SCN9A
SCHEMBL14718024 0.84 SCN9A (0.33) SCN9A
SCHEMBL14718076 0.83 SCN9A (0.34) SCN9A
SCHEMBL1660146 0.82 MMP2 (0.33) SCN9A
SCHEMBL14718352 0.81 TGFBR1 (0.30) SCN9A
SCHEMBL1659975 0.80 MMP2 (0.35) SCN9A
SCHEMBL1658570 0.79 MMP2 (0.31) SCN9A
SCHEMBL14718289 0.78 SCN9A (0.34) KMT2AMEN1SCN9A
SCHEMBL14718094 0.78 MAPK1 (0.38) HPGDSCN9A

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 10 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

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 2158/4885ALDH1A1 2490/4885SMN1; SMN2 3441/4885

“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.