SCHEMBL5099210

SCHEMBL5099210

COc1ccc(C#Cc2cc(C(N)=O)c(NC(N)=O)s2)cc1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 18/20 0.63
CHEK1 O14757 2/20 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
SCHEMBL5096797 0.84 IKBKB (0.76) IKBKB
SCHEMBL5099737 0.84 IKBKB (0.67) IKBKB
SCHEMBL5099661 0.83 IKBKB (0.79) IKBKB
SCHEMBL5099453 0.83 IKBKB (0.63) IKBKB
SCHEMBL5099664 0.81 IKBKB (0.64) IKBKB
SCHEMBL4089013 0.77 CHEK1 (1.00) IKBKBCHEK1
SCHEMBL5554786 0.76 IKBKB (0.67) IKBKB
SCHEMBL23827455 0.74 APP (0.51)
SCHEMBL6509621 0.74 SMN1; SMN2 (0.65) IKBKBCHEK1
SCHEMBL560529 0.74 IKBKB (0.52) IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375131-B2 NF-κB inhibitors SMITHKLINEBEECHAM CORP. (US) 2008-05-20 US claimed
EP-1532133-A4 NF-:B INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-11-15 EP claimed
US-20050165087-A1 For treating diseases with aminothiophene inhibitors of IKK-beta phosphorylation of I kappa B, including inflammatory and tissue repair disorders, particularly rheumatoid arthritis, inflammatory bowel disease CALLAHAN JAMES F (US) 2005-07-28 US claimed
EP-1532133-A1 NF-:B INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-05-25 EP claimed
WO-2003104218-A1 NF-:B INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-18 WO claimed
US-7375131-B2 NF-κB inhibitors SMITHKLINEBEECHAM CORP. (US) 2008-05-20 US disclosed
EP-1532133-A4 NF-:B INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-11-15 EP disclosed
US-20050165087-A1 For treating diseases with aminothiophene inhibitors of IKK-beta phosphorylation of I kappa B, including inflammatory and tissue repair disorders, particularly rheumatoid arthritis, inflammatory bowel disease CALLAHAN JAMES F (US) 2005-07-28 US disclosed
EP-1532133-A1 NF-:B INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-05-25 EP disclosed
WO-2003104218-A1 NF-:B INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-18 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-20050165087-A1 For treating diseases with aminothiophene inhibitors of IKK-beta phosphorylation of I kappa B, including inflammatory and tissue repair disorders, particularly rheumatoid arthritis, inflammatory bowel disease NFKBIA, IKBKG, IKBKE IKBKB 4/4885CHEK1 878/4885

“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.