SCHEMBL3411545

SCHEMBL3411545

C[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C4CC4)cc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 13/20 1.00
CHUK O15111 13/20 1.00
CYP2C9 P11712 1/20 0.71
CIT O14578 1/20 0.58
CASP3 P42574 6/20 0.52
CDK9 P50750 6/20 0.52
CASP7 P55210 6/20 0.52
CDK1 P06493 2/20 0.49
CDK2 P24941 2/20 0.49
GSK3B P49841 2/20 0.49
CDK7 P50613 2/20 0.49
CDK12 Q9NYV4 2/20 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
SCHEMBL4891932 1.00 IKBKB (1.00) IKBKBCHUKCYP2C9CITCASP3
SCHEMBL13014313 0.90 IKBKB (0.82) IKBKBCHUKCYP2C9CITCASP3
SCHEMBL3414528 0.90 IKBKB (0.82) IKBKBCHUKCYP2C9CITCASP3
SCHEMBL3412704 0.90 IKBKB (0.82) IKBKBCHUKCYP2C9CITCASP3
SCHEMBL2986437 0.89 IKBKB (0.81) IKBKBCHUKCYP2C9CITCASP3
SCHEMBL2993261 0.89 IKBKB (0.81) IKBKBCHUKCYP2C9CITCASP3
SCHEMBL2988677 0.89 IKBKB (0.79) IKBKBCHUKCYP2C9CITCASP3
SCHEMBL3418165 0.89 IKBKB (0.79) IKBKBCHUKCYP2C9CITCASP3
SCHEMBL14279336 0.89 IKBKB (0.79) IKBKBCHUKCYP2C9CITCASP3
SCHEMBL2991161 0.89 IKBKB (0.79) IKBKBCHUKCYP2C9CITCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069341-B1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LTD (GB) 2010-12-29 EP claimed
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-11 US claimed
EP-2069341-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS Glaxo Group Limited (GB) 2009-06-17 EP claimed
WO-2008034860-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-03-27 WO claimed
EP-2069341-B1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LTD (GB) 2010-12-29 EP disclosed
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-11 US disclosed
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-11 US disclosed
EP-2069341-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS Glaxo Group Limited (GB) 2009-06-17 EP disclosed
US-20080176891-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
US-20080176891-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
US-20080176891-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
US-20080146606-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-06-19 US disclosed
US-20080146606-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-06-19 US disclosed
US-20080146606-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-06-19 US disclosed
WO-2008034860-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-03-27 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 (3 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-20080176891-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE IKBKB 4/4885CHUK 8/4885CYP2C9 3454/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 IKBKB 428/4885CHUK 300/4885CYP2C9 2830/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE IKBKB 4/4885CHUK 8/4885CYP2C9 3454/4885

“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.