SCHEMBL5898669

SCHEMBL5898669

CC(=O)Nc1sc(-c2ccsc2)cc1C(N)=O

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.56
JAK2 O60674 2/20 0.53
JAK3 P52333 1/20 0.53
CHEK1 O14757 3/20 0.52
CDK2AP1 O14519 1/20 0.52
HDAC6 Q9UBN7 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
EIF2AK2 P19525 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HSD17B10 Q99714 1/20 0.49
PTK2 Q05397 1/20 0.49

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
SCHEMBL5898696 0.87 IKBKB (0.54) IKBKBJAK2JAK3CHEK1CDK2AP1
SCHEMBL7058017 0.84 IKBKB (0.57) IKBKBJAK2JAK3CHEK1CDK2AP1
SCHEMBL5898695 0.82 JAK2 (0.78) IKBKBJAK2JAK3
SCHEMBL5898631 0.81 IKBKB (0.60) IKBKBJAK2JAK3CHEK1CDK2AP1
SCHEMBL5898638 0.81 IKBKB (0.60) IKBKBJAK2JAK3CHEK1HDAC6
SCHEMBL5898665 0.80 IKBKB (0.59) IKBKBJAK2JAK3CHEK1HDAC6
SCHEMBL5898689 0.80 IKBKB (0.59) IKBKBJAK2JAK3CHEK1HDAC6
SCHEMBL5898645 0.80 IKBKB (0.80) IKBKBJAK2JAK3CHEK1HDAC6
SCHEMBL5898635 0.77 IKBKB (0.60) IKBKBJAK2JAK3CHEK1HDAC6
SCHEMBL5898706 0.77 IKBKB (0.63) IKBKBJAK2JAK3CHEK1HDAC6

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-20040024047-A1 Nf-kb inhibitors SMITHKLINE BEECHMAN CORPORATION 2004-02-05 US claimed
US-20060030596-A1 NF-kappaB inhibitors SMITHKLINE BEECHAM CORPORATION 2006-02-09 US disclosed
EP-1324759-A4 NF-G(K)B INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-05-12 EP disclosed
US-20040024047-A1 Nf-kb inhibitors SMITHKLINE BEECHMAN CORPORATION 2004-02-05 US disclosed
EP-1324759-A2 NF-G(K)B INHIBITORS SmithKline Beecham Corporation (US) 2003-07-09 EP disclosed
WO-2002030353-A2 NF-λB INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 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 (2 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-20060030596-A1 NF-kappaB inhibitors NFKBIA, IKBKB, IKBKG IKBKB 2/4885JAK2 171/4885JAK3 275/4885
US-20040024047-A1 Nf-kb inhibitors NFKBIA, IKBKB, IKBKG IKBKB 2/4885JAK2 308/4885JAK3 473/4885

“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.