SCHEMBL8098008

SCHEMBL8098008

CCOC(=O)c1cn2c3c(c(F)c(F)c([N+](=O)[O-])c3c1=O)OCC1(CCC1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.39
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
POLB P06746 2/20 0.33
GSK3B P49841 1/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 4/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
NPC1 O15118 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GALR2 O43603 1/20 0.30
MITF O75030 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
CCR6 P51684 1/20 0.30

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
SCHEMBL1185600 0.86 GSK3B (0.40) STAT3HTTTSHRCASP1POLB
SCHEMBL1186080 0.86 STAT3 (0.40) STAT3HTTTSHRCASP1POLB
SCHEMBL8092612 0.86 STAT3 (0.41) STAT3HTTTSHRCASP1GSK3B
SCHEMBL8102401 0.85 STAT3 (0.52) STAT3HTTTSHRCASP1GSK3B
SCHEMBL1342645 0.82 STAT3 (0.41) STAT3HTTTSHRCASP1POLB
SCHEMBL12873964 0.82 STAT3 (0.42) STAT3HTTTSHRCASP1GSK3B
SCHEMBL1184930 0.81 STAT3 (0.38) STAT3HTTTSHRCASP1POLB
SCHEMBL1186156 0.80 GSK3B (0.41) STAT3HTTTSHRCASP1POLB
SCHEMBL8102351 0.80 STAT3 (0.46) STAT3HTTTSHRCASP1MAPT
SCHEMBL8092999 0.79 GSK3B (0.44) STAT3HTTTSHRCASP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203459-B1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2016-03-16 EP disclosed
US-8901112-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2014-12-02 US disclosed
US-8901112-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2014-12-02 US disclosed
US-8476261-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476261-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-20110034436-A1 SPIROCYCLIC AMINOQUINOLNES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-02-10 US disclosed
WO-2009035684-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2009-03-19 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-20110034436-A1 SPIROCYCLIC AMINOQUINOLNES AS GSK-3 INHIBITORS GSK3A, GSK3B, GSKIP STAT3 1982/4885HTT 4215/4885TSHR 3872/4885

“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.