SCHEMBL4763000

SCHEMBL4763000

CC(C[CH]C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1ccc(F)cc1)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.36
PSEN2 P49810 8/20 0.36
APH1B Q8WW43 8/20 0.36
NCSTN Q92542 8/20 0.36
APH1A Q96BI3 8/20 0.36
PSENEN Q9NZ42 8/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KCNA5 P22460 1/20 0.33
CTSK P43235 1/20 0.32
HTR6 P50406 1/20 0.31
ATM Q13315 1/20 0.30
TRPA1 O75762 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
SCHEMBL6591381 0.92 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6602697 0.92 CTSK (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4761958 0.91 PSEN1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5096688 0.90 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4765458 0.90 HTR6 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4762346 0.90 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6589231 0.84 ALDH1A1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4768440 0.84
SCHEMBL4831656 0.83 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6591177 0.83 CTSK (0.33) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed