SCHEMBL3417796

SCHEMBL3417796

CN(C)Cc1cc2c(-c3ccc(S(=O)(=O)NC4CCS(O)(O)CC4)cc3)ccnc2[nH]1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.85
CHUK O15111 20/20 0.85
CYP2C9 P11712 1/20 0.48
ROCK1 Q13464 1/20 0.46

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
SCHEMBL3409843 0.95 IKBKB (0.79) IKBKBCHUKCYP2C9ROCK1
SCHEMBL3415516 0.95 IKBKB (0.79) IKBKBCHUKCYP2C9ROCK1
SCHEMBL3417806 0.92 IKBKB (1.00) IKBKBCHUKCYP2C9ROCK1
SCHEMBL3413401 0.90 IKBKB (0.84) IKBKBCHUKCYP2C9ROCK1
SCHEMBL13505310 0.89 IKBKB (0.81) IKBKBCHUKCYP2C9ROCK1
SCHEMBL3409835 0.89 IKBKB (0.90) IKBKBCHUKCYP2C9
SCHEMBL3414130 0.89 IKBKB (0.90) IKBKBCHUKCYP2C9
SCHEMBL3412679 0.85 IKBKB (0.83) IKBKBCHUKCYP2C9ROCK1
SCHEMBL3418175 0.85 IKBKB (0.78) IKBKBCHUKCYP2C9ROCK1
Trifluoroacetic Acid SCHEMBL3414424 0.84 IKBKB (0.71) IKBKBCHUKCYP2C9ROCK1

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
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-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 (2 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-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.