SCHEMBL5898706

SCHEMBL5898706

CC(=O)Nc1sc(-c2cccc(O)c2)cc1C(N)=O

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.63
JAK2 O60674 3/20 0.63
JAK3 P52333 1/20 0.63
MEN1 O00255 1/20 0.53
EIF2AK2 P19525 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CHEK1 O14757 1/20 0.53

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
SCHEMBL5898695 0.89 JAK2 (0.78) IKBKBJAK2JAK3
SCHEMBL7052455 0.87 IKBKB (0.60) IKBKBJAK2JAK3CHEK1
SCHEMBL5898648 0.86 JAK2 (0.64) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL5898656 0.86 JAK2 (0.64) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL5898690 0.86 JAK2 (0.61) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL5898692 0.84 JAK2 (0.59) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL5898672 0.84 IKBKB (0.59) IKBKBJAK2JAK3CHEK1
SCHEMBL5898639 0.84 JAK2 (0.65) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL5898674 0.84 IKBKB (0.59) IKBKBJAK2JAK3CHEK1
SCHEMBL5898678 0.83 JAK2 (0.57) IKBKBJAK2JAK3CHEK1

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
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.