SCHEMBL4590195

SCHEMBL4590195

CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(O)cc23)CC1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.73
CHUK O15111 6/20 0.73
BTK Q06187 2/20 0.66
AURKA O14965 1/20 0.66
FLT3 P36888 1/20 0.66
CSNK1E P49674 1/20 0.66
CSF1R P07333 1/20 0.41

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
SCHEMBL552099 0.88 IKBKB (0.72) IKBKBCHUKBTKAURKAFLT3
SCHEMBL4686008 0.85 IKBKB (0.79) IKBKBCHUKBTKAURKAFLT3
SCHEMBL4686253 0.85 IKBKB (1.00) IKBKBCHUKBTKAURKAFLT3
SCHEMBL4686371 0.84 IKBKB (0.84) IKBKBCHUKBTKAURKAFLT3
SCHEMBL4688881 0.84 IKBKB (0.98) IKBKBCHUKBTKAURKAFLT3
SCHEMBL27872359 0.83 IKBKB (0.71) IKBKBCHUKBTKAURKAFLT3
SCHEMBL4685414 0.83 IKBKB (0.82) IKBKBCHUKBTKAURKAFLT3
SCHEMBL551668 0.83 IKBKB (0.76) IKBKBCHUKBTKAURKAFLT3
SCHEMBL4688439 0.83 IKBKB (0.82) IKBKBCHUKBTKAURKAFLT3
SCHEMBL4590012 0.83 IKBKB (0.65) IKBKBCHUKBTKAURKAFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 US claimed
US-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 US disclosed
US-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 US disclosed
US-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 US disclosed
EP-1948187-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-30 EP disclosed
WO-2007062318-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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-20080269291-A1 Chemical Compounds IDO2, IKBKG, NFKBIA IKBKB 8/4885CHUK 28/4885BTK 864/4885

“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.