SCHEMBL140693

SCHEMBL140693

CCOC(=O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1C[C@H](NC(=O)OCc2ccccc2)C[C@H]1COC3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.44
GSK3B P49841 2/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
STAT3 P40763 1/20 0.39
KCNH2 Q12809 6/20 0.39
OPRM1 P35372 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
OPRD1 P41143 1/20 0.38
HPGD P15428 2/20 0.37
PRKD3 O94806 1/20 0.36
ALOX15 P16050 1/20 0.36
CLK2 P49760 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL12836899 0.85 ADRB2 (0.42) ADRB2GSK3BKDM4EALDH1A1POLB
SCHEMBL116167 0.84 ADRB2 (0.49) ADRB2KDM4EALDH1A1POLBTDP1
SCHEMBL117111 0.84 ADRB2 (0.49) ADRB2KDM4EALDH1A1POLBTDP1
SCHEMBL12836880 0.84 ADRB2 (0.43) ADRB2GSK3BKDM4EALDH1A1POLB
SCHEMBL13625737 0.84 ADRB2 (0.44) ADRB2GSK3BKDM4EALDH1A1POLB
SCHEMBL142918 0.84 ADRB2 (0.43) ADRB2GSK3BKDM4EALDH1A1POLB
SCHEMBL140638 0.82 ADRB2 (0.43) ADRB2GSK3BKDM4EALDH1A1POLB
SCHEMBL12825629 0.80 ADRB2 (0.49) ADRB2KDM4EALDH1A1POLBTDP1
SCHEMBL116252 0.80 ADRB2 (0.50) ADRB2KDM4EALDH1A1POLBTDP1
SCHEMBL12825634 0.78 ADRB2 (0.46) ADRB2KDM4EALDH1A1POLBTDP1

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 2 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
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 702/4885GSK3B 3846/4885KDM4E 2563/4885

“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.