SCHEMBL5336008

SCHEMBL5336008

CS(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2cc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])ccc2CC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.53
CHUK O15111 1/20 0.49
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47

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
SCHEMBL5340288 0.92 IKBKB (0.55) IKBKBCHUK
SCHEMBL5340256 0.92 IKBKB (0.55) IKBKBCHUK
SCHEMBL5347847 0.91 IKBKB (0.58) IKBKBCHUKCCNA2CDK2CCNA1
SCHEMBL5338699 0.91 IKBKB (0.53) IKBKBCHUK
SCHEMBL5339674 0.90 IKBKB (0.57) IKBKBCHUK
SCHEMBL5335183 0.90 IKBKB (0.57) IKBKBCHUK
SCHEMBL5334005 0.88 IKBKB (0.52) IKBKBCHUK
SCHEMBL5341027 0.88 IKBKB (0.56) IKBKBCHUK
SCHEMBL5340209 0.88 IKBKB (0.56) IKBKBCHUKCCNA2CDK2CCNA1
SCHEMBL5347740 0.87 IKBKB (0.56) IKBKBCHUKCCNA2CDK2CCNA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 US claimed
US-6956052-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2005-10-18 US claimed
EP-1444207-A2 SUBSTITUTED PYRAZOLYL-COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-08-11 EP claimed
US-20040110741-A1 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORARTION 2004-06-10 US claimed
WO-2003024935-A2 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-03-27 WO claimed
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 US disclosed
US-6956052-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2005-10-18 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 (1 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-20040110741-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 IKBKB 55/4885CHUK 32/4885CCNA2 2589/4885

“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.