SCHEMBL6005367

SCHEMBL6005367

CN1C(=O)[C@@H](NC(=O)[C@H](c2ccc(F)cc2)[C@@H](CO)c2ccc(F)c(F)c2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 8/20 0.68
NOTCH3 Q9UM47 8/20 0.68
CCKBR P32239 4/20 0.59
NOTCH2 Q04721 1/20 0.58
NOTCH4 Q99466 1/20 0.58
PSEN1 P49768 3/20 0.56
PSEN2 P49810 3/20 0.56
APH1B Q8WW43 3/20 0.56
NCSTN Q92542 3/20 0.56
APH1A Q96BI3 3/20 0.56
PSENEN Q9NZ42 3/20 0.56
GSAP A4D1B5 1/20 0.56
SCN9A Q15858 1/20 0.56
KCNH2 Q12809 1/20 0.55

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
SCHEMBL7093798 0.94 NOTCH1 (0.68) NOTCH1NOTCH3CCKBRNOTCH2NOTCH4
SCHEMBL6005122 0.94 NOTCH1 (0.68) NOTCH1NOTCH3CCKBRNOTCH2NOTCH4
SCHEMBL6003918 0.92 NOTCH1 (0.65) NOTCH1NOTCH3CCKBRNOTCH2NOTCH4
SCHEMBL6005055 0.90 NOTCH1 (0.68) NOTCH1NOTCH3CCKBRNOTCH2NOTCH4
SCHEMBL6005174 0.90 NOTCH1 (0.66) NOTCH1NOTCH3CCKBRNOTCH2NOTCH4
SCHEMBL6005727 0.90 NOTCH1 (0.66) NOTCH1NOTCH3CCKBRNOTCH2NOTCH4
SCHEMBL6005120 0.88 NOTCH1 (0.56) NOTCH1NOTCH3CCKBRNOTCH2NOTCH4
SCHEMBL6005158 0.88 NOTCH1 (0.60) NOTCH1NOTCH3CCKBRNOTCH2NOTCH4
SCHEMBL6006185 0.87 NOTCH1 (0.62) NOTCH1NOTCH3CCKBRNOTCH2NOTCH4
SCHEMBL6003788 0.84 NOTCH1 (0.50) NOTCH1NOTCH3CCKBRPSEN1PSEN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759579-B2 Cyclobutyl sulfones as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-8759579-B2 Cyclobutyl sulfones as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-20110039925-A1 CYCLOBUTYL SULFONES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2011-02-17 US disclosed
US-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 US disclosed
EP-1294702-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LTD. (GB) 2003-03-26 EP disclosed
WO-2001090084-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LIMITED (GB) 2001-11-29 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 (2 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-20110039925-A1 CYCLOBUTYL SULFONES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS BACE1, BACE2, GSAP NOTCH1 5/4885NOTCH3 6/4885CCKBR 145/4885
US-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP NOTCH1 803/4885NOTCH3 1605/4885CCKBR 642/4885

“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.