SCHEMBL3414036

SCHEMBL3414036

Cc1ccc(S(=O)(=O)n2c(CO)cc3c(-c4ccc(S(=O)(=O)NCCNC(=O)O)cc4)ccnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.46
CHUK O15111 11/20 0.46
ROCK1 Q13464 3/20 0.43
NEK1 Q96PY6 4/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.40
CYP2C9 P11712 1/20 0.40
FLT3 P36888 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL13013344 0.89 IKBKB (0.42) IKBKBCHUKROCK1NEK1PTGDR2
SCHEMBL13014033 0.89 IKBKB (0.56) IKBKBCHUKROCK1NEK1PTGDR2
SCHEMBL3417470 0.87 IKBKB (0.43) IKBKBCHUKROCK1NEK1PTGDR2
SCHEMBL3415001 0.85 IKBKB (0.43) IKBKBCHUKROCK1NEK1PTGDR2
SCHEMBL3412830 0.81 IKBKB (0.43) IKBKBCHUKROCK1NEK1PTGDR2
SCHEMBL13013877 0.76 IKBKB (0.40) IKBKBCHUKROCK1NEK1PTGDR2
SCHEMBL13013982 0.76 PTGDR2 (0.48) PTGDR2L3MBTL1
SCHEMBL3412397 0.74 PTGDR2 (0.47) PTGDR2L3MBTL1
SCHEMBL13505139 0.74 PTGDR2 (0.46) PTGDR2L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL3412885 0.73 IKBKB (0.40) IKBKBCHUKROCK1NEK1PTGDR2

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 4 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-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

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 8/4885ROCK1 467/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 IKBKB 428/4885CHUK 300/4885ROCK1 550/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE IKBKB 4/4885CHUK 8/4885ROCK1 467/4885

“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.