SCHEMBL143606

SCHEMBL143606

CCc1c(C(=O)O)c(=O)c2cc(F)c(F)c(C)c2n1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
TOP2A P11388 6/20 0.39
TOP2B Q02880 6/20 0.39
PIM1 P11309 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
PIM3 Q86V86 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADRB2 P07550 1/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL143726 0.89 TOP2A (0.39) KCNH2TOP2ATOP2BPIM1GSK3A
SCHEMBL142409 0.87 GSK3B (0.37) KCNH2TOP2ATOP2BPIM1GSK3A
SCHEMBL143976 0.86 GSK3B (0.36) KCNH2TOP2ATOP2BPIM1GSK3A
SCHEMBL144443 0.86 GSK3B (0.36) KCNH2TOP2ATOP2BPIM1GSK3A
SCHEMBL140634 0.86 PIM1 (0.36) KCNH2TOP2ATOP2BPIM1GSK3A
SCHEMBL3337171 0.86 KCNH2 (0.41) KCNH2PIM1GSK3AGSK3BPIM3
SCHEMBL7489369 0.86 STAT3 (0.40) KCNH2TOP2ATOP2BPIM1GSK3A
SCHEMBL3134076 0.84 KCNH2 (0.38) KCNH2TOP2ATOP2BPIM1GSK3A
SCHEMBL9308875 0.81 TOP2A (0.61) TOP2ATOP2B
SCHEMBL29023850 0.81 KDM4E (0.41) KCNH2TOP2ATOP2BPIM1GSK3A

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 3 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
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

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 1477/4885TOP2A 125/4885TOP2B 31/4885

“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.