SCHEMBL140638

SCHEMBL140638

CCOC(=O)c1cn(C2CC2)c2c(C=O)c(N3C[C@H](NC(=O)OCc4ccccc4)C[C@H]3CO)c(F)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
GSK3B P49841 2/20 0.40
KDM4E B2RXH2 4/20 0.39
POLB P06746 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
STAT3 P40763 1/20 0.37
KCNH2 Q12809 5/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL142918 0.92 ADRB2 (0.43) ADRB2GSK3BKDM4EPOLBALDH1A1
SCHEMBL13625737 0.91 ADRB2 (0.44) ADRB2GSK3BKDM4EPOLBALDH1A1
SCHEMBL116196 0.84 ADRB2 (0.48) ADRB2KDM4EPOLBALDH1A1TDP1
SCHEMBL12836881 0.84 ADRB2 (0.44) ADRB2GSK3BKDM4EPOLBALDH1A1
SCHEMBL140693 0.82 ADRB2 (0.44) ADRB2GSK3BKDM4EPOLBALDH1A1
SCHEMBL140639 0.82 DPP4 (0.34) GSK3BKDM4EPOLBALDH1A1LMNA
SCHEMBL116248 0.79 ADRB2 (0.49) ADRB2KDM4EPOLBALDH1A1TDP1
SCHEMBL142688 0.79 ADRB2 (0.41) ADRB2KDM4EPOLBALDH1A1LMNA
SCHEMBL12836900 0.78 KDM4E (0.43) GSK3BKDM4EPOLBALDH1A1LMNA
SCHEMBL114597 0.76 ADRB2 (0.49) ADRB2KDM4EPOLBALDH1A1LMNA

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.