SCHEMBL115948

SCHEMBL115948

CCOC(=O)c1cn(C2CC2)c2c(CSCC3CCCN3)c(F)c(F)cc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.50
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
STAT3 P40763 1/20 0.41
TOP2A P11388 5/20 0.39
TOP2B Q02880 5/20 0.39
KCNH2 Q12809 4/20 0.39
POLB P06746 1/20 0.39
PRKD3 O94806 1/20 0.39
ALOX15 P16050 1/20 0.39
OPRM1 P35372 1/20 0.39
CLK2 P49760 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3400403 0.89 ADRB2 (0.53) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL114477 0.89 ADRB2 (0.53) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL114727 0.81 ADRB2 (0.61) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL178577 0.81 ADRB2 (0.50) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL145483 0.81 ADRB2 (0.50) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL142928 0.81 ADRB2 (0.50) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL116187 0.80 ADRB2 (0.62) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL116185 0.80 ADRB2 (0.46) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2844967 0.79 ADRB2 (0.68) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29492858 0.79 ADRB2 (0.68) ADRB2KDM4EALDH1A1HPGDHSD17B10

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 702/4885KDM4E 2563/4885ALDH1A1 1678/4885

“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.