SCHEMBL10108121

SCHEMBL10108121

CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)NC1CC(O)(C(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.35
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.31
CTSK P43235 2/20 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
SCHEMBL10108126 1.00 BTK (0.35) BTKNFKB1NFKB2RELAGAA
SCHEMBL10108125 0.90 BTK (0.34) BTKNFKB1NFKB2RELAGAA
SCHEMBL10108129 0.82 NFKB1 (0.33) BTKNFKB1NFKB2RELAMEN1
SCHEMBL13642022 0.81 BTK (0.32) BTK
SCHEMBL570996 0.80 BTK (0.50) BTKNFKB1NFKB2RELAGAA
SCHEMBL21580368 0.80 BTK (0.49) BTKNFKB1NFKB2RELAGAA
SCHEMBL10197445 0.80 BTK (0.31) BTK
SCHEMBL9254320 0.79 BTK (0.38) BTKNFKB1NFKB2RELAGAA
SCHEMBL19508986 0.77 GAA (0.39) BTKNFKB1NFKB2RELAGAA
SCHEMBL18256753 0.77 GAA (0.39) BTKNFKB1NFKB2RELAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658606-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-02-25 US disclosed
US-8653042-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-02-18 US disclosed
US-8524675-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-09-03 US disclosed
US-8492354-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-07-23 US disclosed
US-8481502-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-07-09 US disclosed
WO-2011044501-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-04-19 WO disclosed
WO-2011044502-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-23 WO disclosed
WO-2011044498-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-09 WO disclosed
WO-2010132757-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-08-25 WO disclosed
WO-2011044538-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed
WO-2011044501-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed
WO-2011044498-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed
WO-2011044502-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed
WO-2010132768-A1 ANTIBACTERIAL DERIVATIVES OF SISOMICIN ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132757-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010042851-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 WO disclosed
WO-2010042850-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 WO disclosed