SCHEMBL13505180

SCHEMBL13505180

CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccc(-c2ccnc3c2cc(C(F)F)n3S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
IKBKB O14920 9/20 0.41
CHUK O15111 9/20 0.41
NEK1 Q96PY6 4/20 0.38
NR1H2 P55055 2/20 0.37
GNRHR P30968 1/20 0.37
ROCK1 Q13464 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C9 P11712 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL3412830 0.89 IKBKB (0.43) IKBKBCHUKNEK1ROCK1CYP2C9
SCHEMBL3613975 0.84 IKBKB (0.42) IKBKBCHUKNEK1ROCK1CYP2C9
SCHEMBL13013344 0.83 IKBKB (0.42) ALOX5APFEN1IKBKBCHUKNEK1
SCHEMBL3415657 0.83 IKBKB (0.51) ALOX5APFEN1IKBKBCHUKNEK1
SCHEMBL4317149 0.81 IKBKB (0.40) IKBKBCHUKNEK1ROCK1
SCHEMBL13013877 0.80 IKBKB (0.40) ALOX5APFEN1IKBKBCHUKNEK1
SCHEMBL30135028 0.79 EGFR (0.43)
SCHEMBL13241039 0.79 P2RY14 (0.43) ALOX5APFEN1
SCHEMBL13013183 0.78 IKBKB (0.61) ALOX5APFEN1IKBKBCHUKNEK1
SCHEMBL13507592 0.78 ALOX5AP (0.42) ALOX5APFEN1IKBKBCHUKNEK1

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-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-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 ALOX5AP 2957/4885FEN1 2021/4885IKBKB 4/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 ALOX5AP 4216/4885FEN1 1525/4885IKBKB 428/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE ALOX5AP 2957/4885FEN1 2021/4885IKBKB 4/4885

“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.