SCHEMBL5577128

SCHEMBL5577128

CC(C)(C)C1CC(NCCCS(=O)(=O)N2CCC(c3c[nH]c4c(C(N)=O)cc(-c5ccccc5)cc34)CC2)CCN1C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.75
CHUK O15111 6/20 0.65
BTK Q06187 2/20 0.65
AURKA O14965 1/20 0.65
FLT3 P36888 1/20 0.65
CSNK1E P49674 1/20 0.65
CSF1R P07333 1/20 0.45

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
SCHEMBL3795647 0.86 IKBKB (0.91) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3795649 0.86 IKBKB (0.91) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3795814 0.86 IKBKB (1.00) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3797615 0.85 IKBKB (0.98) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3798002 0.85 IKBKB (0.78) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3800722 0.84 IKBKB (0.88) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3798387 0.81 IKBKB (0.78) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3804556 0.81 IKBKB (0.91) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3797520 0.81 IKBKB (0.88) IKBKBCHUKBTKAURKAFLT3
SCHEMBL13020826 0.81 IKBKB (0.90) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254873-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2007-11-01 US claimed

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-20070254873-A1 Chemical Compounds IKBKG, NFKBIA, RELA IKBKB 5/4885CHUK 9/4885BTK 386/4885

“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.