SCHEMBL143608

SCHEMBL143608

CCOC(=O)C1CCCN1c1c(F)cc2c(=O)c(C(=O)O)c(CC)n(C3CC3)c2c1C=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.33
PIM1 P11309 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
PIM3 Q86V86 1/20 0.33
CSNK1G1 Q9HCP0 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
TSHR P16473 2/20 0.33
ADRB2 P07550 1/20 0.32
POLB P06746 1/20 0.31
PRKD3 O94806 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
OPRM1 P35372 1/20 0.31
CLK2 P49760 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL143351 0.92 KCNH2 (0.33) KCNH2PIM1GSK3AGSK3BPIM3
SCHEMBL1516361 0.84 PIM1 (0.34) KCNH2PIM1GSK3AGSK3BPIM3
SCHEMBL3428255 0.82 KCNH2 (0.49) KCNH2ALDH1A1KDM4EADRB2POLB
SCHEMBL140626 0.80 DDR1 (0.32) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL143607 0.79 ADRB2 (0.51) KCNH2ALDH1A1KDM4EADRB2POLB
SCHEMBL143976 0.79 GSK3B (0.36) KCNH2PIM1GSK3AGSK3BPIM3
SCHEMBL143465 0.75 PIM1 (0.35) KCNH2PIM1GSK3AGSK3BPIM3
SCHEMBL144443 0.73 GSK3B (0.36) KCNH2PIM1GSK3AGSK3BPIM3
SCHEMBL140639 0.73 DPP4 (0.34) KCNH2GSK3BALDH1A1KDM4ETSHR
SCHEMBL143606 0.72 KCNH2 (0.40) KCNH2PIM1GSK3AGSK3BPIM3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US 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 KCNH2 1477/4885PIM1 4739/4885GSK3A 4259/4885

“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.