SCHEMBL5335359

SCHEMBL5335359

NC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1ccc([N+](=O)[O-])cc1-2

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.58
CDK2 P24941 10/20 0.58
CCNA1 P78396 10/20 0.58
IKBKB O14920 4/20 0.58
AURKA O14965 1/20 0.50
PTGS2 P35354 3/20 0.48
PTGS1 P23219 2/20 0.48
CA9 Q16790 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 1/20 0.43

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
SCHEMBL5342584 0.91 CCNA2 (0.59) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL14532705 0.88 CCNA2 (0.53) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL6791456 0.86 CCNA2 (0.62) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL5334053 0.86 CCNA2 (0.62) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL5339586 0.83 IKBKB (0.45) CCNA2CDK2CCNA1IKBKB
SCHEMBL5337111 0.82 CCNA2 (0.48) CCNA2CDK2CCNA1IKBKBPTGS2
SCHEMBL3858859 0.82 CCNA2 (0.43) CCNA2CDK2CCNA1IKBKB
SCHEMBL5343708 0.82 IKBKB (0.57) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL5335768 0.82 IKBKB (0.57) CCNA2CDK2CCNA1IKBKBAURKA
SCHEMBL6800328 0.80 IKBKB (0.55) CCNA2CDK2CCNA1IKBKBAURKA

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
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 US disclosed
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 US disclosed
US-20050256180-A1 Substituted pyrazolyl compounds for the treatment of inflammation BERGMANIS ARIJA A 2005-11-17 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-20050256180-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 CCNA2 2589/4885CDK2 392/4885CCNA1 2090/4885

“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.