SCHEMBL5253371

SCHEMBL5253371

NC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1COc1ccccc1-2

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 5/20 0.68
▸ PTGS2 P35354 5/20 0.68
▸ CCNA2 P20248 9/20 0.59
▸ CDK2 P24941 9/20 0.59
▸ CCNA1 P78396 9/20 0.59
▸ IKBKB O14920 1/20 0.59
▸ CA1 P00915 5/20 0.45
▸ CA2 P00918 5/20 0.45
▸ CA9 Q16790 5/20 0.45
▸ CA4 P22748 4/20 0.45
▸ AURKA O14965 1/20 0.44
▸ CA12 O43570 1/20 0.42

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
SCHEMBL5256651 0.92 PTGS2 (0.68) PTGS1PTGS2CCNA2CDK2CCNA1
SCHEMBL6356759 0.89 PTGS2 (0.64) PTGS1PTGS2CCNA2CDK2CCNA1
SCHEMBL6649029 0.84 PTGS1 (0.48) PTGS1PTGS2CCNA2CDK2CCNA1
SCHEMBL6279437 0.81 PTGS2 (1.00) PTGS1PTGS2
SCHEMBL8937493 0.79 PTGS2 (0.69) PTGS1PTGS2CCNA2CDK2CCNA1
SCHEMBL5255644 0.79 CCNA2 (0.59) PTGS1PTGS2CCNA2CDK2CCNA1
SCHEMBL9832871 0.78 PTGS1 (0.49) PTGS1PTGS2CCNA2CDK2CCNA1
SCHEMBL9833010 0.76 PTGS1 (0.47) PTGS1PTGS2CCNA2CDK2CCNA1
SCHEMBL14502642 0.76 CCNA2 (0.53) PTGS1PTGS2CCNA2CDK2CCNA1
SCHEMBL2548370 0.76 MAPT (0.62) CCNA2CDK2CCNA1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211597-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2007-05-01 — — US claimed
EP-1427706-A1 SUBSTITUTED PYRAZOLO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-06-16 — — EP claimed
US-20030114432-A1 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-06-19 — — US claimed
WO-2003024936-A1 SUBSTITUTED PYRAZOLO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-03-27 — — WO claimed
EP-1427706-B1 SUBSTITUTED PYRAZOLO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-05-30 — — EP disclosed
US-7211597-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2007-05-01 — — US disclosed
US-7211597-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2007-05-01 — — US disclosed
US-7211597-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2007-05-01 — — US disclosed
US-20030114432-A1 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-06-19 — — 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 (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-20030114432-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 PTGS1 18/4885PTGS2 22/4885CCNA2 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.

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