SCHEMBL3413166

SCHEMBL3413166

CCC(O)CNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C4CC4)cc23)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 14/20 0.74
CHUK O15111 14/20 0.74
CYP2C9 P11712 1/20 0.74
CIT O14578 1/20 0.51
CDK9 P50750 5/20 0.51
CCNT1 O60563 2/20 0.51
ROCK1 Q13464 1/20 0.49
CASP3 P42574 3/20 0.48
CASP7 P55210 3/20 0.48

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
SCHEMBL3415603 0.90 IKBKB (0.76) IKBKBCHUKCYP2C9CITCDK9
SCHEMBL13014298 0.90 IKBKB (0.76) IKBKBCHUKCYP2C9CITCDK9
SCHEMBL13505170 0.90 IKBKB (0.76) IKBKBCHUKCYP2C9CITCDK9
Trifluoroacetic Acid SCHEMBL3415206 0.86 IKBKB (0.67) IKBKBCHUKCYP2C9CITCDK9
SCHEMBL3417843 0.85 IKBKB (0.73) IKBKBCHUKCYP2C9CITROCK1
SCHEMBL14279136 0.85 IKBKB (0.84) IKBKBCHUKCYP2C9CITCDK9
SCHEMBL3411851 0.85 IKBKB (1.00) IKBKBCHUKCYP2C9CITCDK9
Hydrochloric Acid SCHEMBL3412536 0.84 IKBKB (0.98) IKBKBCHUKCYP2C9CITCDK9
SCHEMBL3414391 0.84 IKBKB (0.79) IKBKBCHUKCYP2C9CITCDK9
SCHEMBL14279333 0.84 IKBKB (0.79) IKBKBCHUKCYP2C9CITCDK9

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 9 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 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
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

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.