SCHEMBL552589

SCHEMBL552589

CCCN(Cc1cc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)cs1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.66
CHUK O15111 5/20 0.66
AURKA O14965 1/20 0.62
FLT3 P36888 1/20 0.62
CSNK1E P49674 1/20 0.62
BTK Q06187 1/20 0.62

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
SCHEMBL552524 0.91 IKBKB (0.65) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4392032 0.90 IKBKB (0.69) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL551921 0.89 IKBKB (0.69) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL551620 0.88 IKBKB (0.64) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL551669 0.88 IKBKB (0.68) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL551891 0.88 IKBKB (0.63) IKBKBCHUKAURKAFLT3CSNK1E
Trifluoroacetic Acid SCHEMBL551512 0.88 IKBKB (0.61) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL552114 0.87 IKBKB (0.67) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL10279908 0.87 IKBKB (0.67) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL552337 0.87 IKBKB (0.71) IKBKBCHUKAURKAFLT3CSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA IKBKB 5/4885CHUK 9/4885AURKA 644/4885

“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.