SCHEMBL117416

SCHEMBL117416

CCOC(=O)c1cn(C2CC2)c2c(OS(=O)(=O)C(F)(F)F)c(F)ccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.47
KCNH2 Q12809 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
GSK3B P49841 2/20 0.40
HPGD P15428 1/20 0.40
TOP2A P11388 3/20 0.38
TOP2B Q02880 3/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL115392 0.88 ADRB2 (0.55) ADRB2KCNH2TDP1GSK3BHPGD
SCHEMBL4302223 0.86 ADRB2 (0.51) ADRB2KCNH2TDP1GSK3BHPGD
SCHEMBL7126309 0.86 ADRB2 (0.57) ADRB2KCNH2TDP1GSK3BHPGD
SCHEMBL12835804 0.85 ADRB2 (0.44) ADRB2KCNH2TDP1GSK3BHPGD
SCHEMBL116273 0.85 ADRB2 (0.52) ADRB2KCNH2TDP1GSK3BHPGD
SCHEMBL4302235 0.84 ADRB2 (0.49) ADRB2KCNH2TDP1GSK3BHPGD
SCHEMBL12836210 0.84 ADRB2 (0.42) ADRB2KCNH2GSK3BHPGDTOP2A
SCHEMBL8927420 0.82 ADRB2 (0.51) ADRB2KCNH2TDP1HPGDTOP2A
SCHEMBL6783818 0.82 ADRB2 (0.59) ADRB2KCNH2TDP1HPGDTOP2A
SCHEMBL9148042 0.82 ADRB2 (0.55) ADRB2KCNH2TDP1HPGDTOP2A

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 6 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
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 1477/4885TDP1 1100/4885

“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.