SCHEMBL115392

SCHEMBL115392

CCOC(=O)c1cn(C2CC2)c2c(OS(=O)(=O)C(F)(F)F)c(F)c(F)cc2c1=O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.55
KCNH2 Q12809 5/20 0.47
TOP2A P11388 5/20 0.45
TOP2B Q02880 5/20 0.45
STAT3 P40763 1/20 0.45
GSK3B P49841 2/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PRKD3 O94806 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
OPRM1 P35372 1/20 0.42
CLK2 P49760 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7126309 0.93 ADRB2 (0.57) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL4302223 0.91 ADRB2 (0.51) ADRB2KCNH2TOP2ATOP2BGSK3B
SCHEMBL116913 0.90 ADRB2 (0.57) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL4302235 0.89 ADRB2 (0.49) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL117416 0.88 ADRB2 (0.47) ADRB2KCNH2TOP2ATOP2BGSK3B
SCHEMBL3397838 0.88 TOP2A (0.55) KCNH2TOP2ATOP2BGSK3BPOLB
SCHEMBL7810922 0.87 ADRB2 (0.58) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL29391687 0.86 ADRB2 (0.61) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL28414684 0.86 ADRB2 (0.61) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL1989474 0.86 ADRB2 (0.61) ADRB2KCNH2TOP2ATOP2BSTAT3

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
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
WO-2011031740-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2011-03-17 WO disclosed
WO-2011031743-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2011-03-17 WO disclosed
WO-2011031744-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2011-03-17 WO disclosed
EP-2250171-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS Achaogen, Inc. (US) 2010-11-17 EP disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 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 (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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 ADRB2 702/4885KCNH2 1477/4885TOP2A 125/4885

“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.