SCHEMBL3228879

SCHEMBL3228879

CS(=O)(=O)c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.35
MAPK13 O15264 4/20 0.35
MAPK12 P53778 4/20 0.35
MAPK11 Q15759 4/20 0.35
KCNH2 Q12809 1/20 0.33
IDH2 P48735 1/20 0.32
PDE7A Q13946 3/20 0.31
KCNH3 Q9ULD8 1/20 0.31
SCN9A Q15858 1/20 0.31
CDK1 P06493 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE7B Q9NP56 1/20 0.31
CDK2 P24941 1/20 0.30
CDK9 P50750 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
SCHEMBL3224741 0.86 SCN9A (0.39) MAPK14MAPK13MAPK12MAPK11SCN9A
SCHEMBL3213025 0.85 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL3219763 0.84 DYRK3 (0.38) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL2719564 0.84 MAPK14 (0.35) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1066098 0.82 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL3224340 0.82 SCN9A (0.45) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL3223925 0.80 SCN9A (0.42) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL13952137 0.79 SCN9A (0.41) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL3222339 0.79 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL3221461 0.79 SCN9A (0.39) MAPK14MAPK13MAPK12MAPK11KCNH2

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-20100069409-A1 \"NOVEL COMPOUNDS\ GLAXO GROUP LIMITED (GB) 2010-03-18 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-20100069409-A1 \"NOVEL COMPOUNDS\ MAPKAPK2, CDC42BPB, MAP4K2 MAPK14 60/4885MAPK13 58/4885MAPK12 103/4885

“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.