SCHEMBL1270741

SCHEMBL1270741

CN(CC1COCCO1)S(=O)(=O)N(C(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
MAPT P10636 1/20 0.33
MET P08581 2/20 0.33
AURKA O14965 1/20 0.33
JAK2 O60674 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
RET P07949 1/20 0.33
CYP3A4 P08684 1/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33

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
SCHEMBL1270429 1.00 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3949985 0.78 MET (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3951775 0.78 MET (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15946939 0.77 CHRM2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoroacetic Acid SCHEMBL1270844 0.75 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3949126 0.75 CHRM2 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3949962 0.75 CHRM2 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3950824 0.75 CHRM2 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15948910 0.75 CHRM2 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20133830 0.73 CHRM2 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A

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
EP-1896421-B1 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK SHARP & DOHME (US) 2011-09-14 EP disclosed
EP-1896422-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2011-08-17 EP disclosed
US-7893081-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2011-02-22 US disclosed
EP-1896421-A2 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET Merck & Co., Inc. (US) 2008-03-12 EP disclosed
WO-2007002254-A2 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK & CO., INC. (US) 2007-01-04 WO disclosed