SCHEMBL3604494

SCHEMBL3604494

CC(C)(C)N(Cc1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2n1S(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
ALDH1A1 P00352 5/20 0.39
GAA P10253 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MAPT P10636 2/20 0.38
PIK3C3 Q8NEB9 1/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
NPC1 O15118 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
CHRM5 P08912 1/20 0.36

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
SCHEMBL3410153 0.86 IKBKB (0.51) IKBKBCHUKALDH1A1GAAPIK3C3
SCHEMBL13505097 0.85 IKBKB (0.50) IKBKBCHUKALDH1A1GAAPIK3C3
SCHEMBL3412684 0.83 IKBKB (0.50) IKBKBCHUKALDH1A1GAANPSR1
SCHEMBL3412517 0.82 IKBKB (0.46) IKBKBCHUKALDH1A1GAAPIK3C3
SCHEMBL3417108 0.82 IKBKB (0.48) IKBKBCHUKALDH1A1GAAL3MBTL1
SCHEMBL3415381 0.82 IKBKB (0.49) IKBKBCHUKALDH1A1GAAMAPT
SCHEMBL13505078 0.82 NAMPT (0.43) IKBKBCHUKALDH1A1GAAMAPT
SCHEMBL3413741 0.81 IKBKB (0.48) IKBKBCHUKALDH1A1GAANPSR1
SCHEMBL3418350 0.81 IKBKB (0.54) IKBKBCHUKALDH1A1GAAPIK3C3
SCHEMBL3415946 0.80 IKBKB (0.49) IKBKBCHUKALDH1A1GAAMAPT

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 3 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-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 8/4885ALDH1A1 4154/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 IKBKB 428/4885CHUK 300/4885ALDH1A1 2180/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE IKBKB 4/4885CHUK 8/4885ALDH1A1 4154/4885

“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.