SCHEMBL4686433

SCHEMBL4686433

CC(C)(C)OC(=O)N1CCC(c2c[nH]c3c(CO)cc(-c4ccccc4)cc23)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.47
CHUK O15111 4/20 0.47
USP30 Q70CQ3 6/20 0.46
HPGDS O60760 3/20 0.46
AURKA O14965 1/20 0.44
FLT3 P36888 1/20 0.44
CSNK1E P49674 1/20 0.44
BTK Q06187 1/20 0.44
HSD11B1 P28845 2/20 0.43

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
SCHEMBL4688528 0.87 IKBKB (0.50) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4685170 0.86 IKBKB (0.62) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4688542 0.85 IKBKB (0.50) IKBKBCHUKUSP30HPGDSAURKA
SCHEMBL6644118 0.80 KDM4E (0.46)
SCHEMBL4685993 0.79 IKBKB (0.66) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL14181451 0.79 KDM4E (0.63) HPGDSHSD11B1
SCHEMBL14030814 0.78 IKBKB (0.47) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL27224129 0.74 HPGDS (0.48) USP30HPGDS
SCHEMBL5255106 0.74 KDM4E (0.56) USP30HPGDSHSD11B1
SCHEMBL30834269 0.74 KDM4E (0.56) USP30HPGDSHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1703905-B1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-11-12 EP disclosed
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-30 US disclosed
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-30 US disclosed
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-30 US disclosed
CN-1933830-A Indole derivatives and their use as kinase inhibitors, in particular IKK2 inhibitors SMITHKLINE BEECHAM CORP (US) 2007-03-21 CN 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-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors NFKBIA, IKBKB, IDO2 IKBKB 2/4885CHUK 6/4885USP30 1852/4885

“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.