SCHEMBL6487680

SCHEMBL6487680

COc1ccc2c(c1)CCc1c(C(=O)O)nn(-c3ccc(S(N)(=O)=O)cc3)c1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.55
CDK2 P24941 4/20 0.55
CCNA1 P78396 4/20 0.55
PTGS2 P35354 4/20 0.55
PTGS1 P23219 3/20 0.55
RAD52 P43351 1/20 0.54
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CA9 Q16790 6/20 0.50
CA12 O43570 3/20 0.50
CA7 P43166 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
IKBKB O14920 2/20 0.49
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL6352140 0.92 RAD52 (0.56) CCNA2CDK2CCNA1PTGS2PTGS1
SCHEMBL11868715 0.87 RAD52 (0.68) CCNA2CDK2CCNA1RAD52KDM4E
SCHEMBL5258632 0.87 PTGS2 (0.52) CCNA2CDK2CCNA1PTGS2PTGS1
SCHEMBL6353347 0.83 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL6344383 0.83 PTGS2 (0.56) PTGS2PTGS1RAD52CA1CA2
SCHEMBL6352141 0.83 PTGS2 (0.51) CCNA2CDK2CCNA1PTGS2PTGS1
SCHEMBL11865536 0.82 RAD52 (0.61) CCNA2CDK2CCNA1RAD52IKBKB
Hydrochloric Acid SCHEMBL6800512 0.81 PTGS2 (0.51) CCNA2CDK2CCNA1PTGS2PTGS1
SCHEMBL6789944 0.81 CCNA2 (0.52) CCNA2CDK2CCNA1PTGS2PTGS1
SCHEMBL11867763 0.80 RAD52 (0.70) CCNA2CDK2CCNA1PTGS2PTGS1

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
EP-0923933-B1 Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation SEARLE & CO (US) 2002-07-03 EP claimed
EP-0924201-B1 Tricyclic-substituted pyrazolyl benzenesulfonamides and their use as cyclooxygenase II inhibitors SEARLE & CO (US) 2002-02-06 EP claimed
EP-0854723-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR USE IN VETERINARY THERAPIES AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-07-29 EP claimed
EP-0731795-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP claimed
WO-1995015316-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G. D. SEARLE & CO. (US) 1995-06-08 WO claimed
US-6951949-B2 Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation PHARMACIA CORPORATION (US) 2005-10-04 US disclosed
US-20040192930-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation G.D. SEARLE & CO. (US) 2004-09-30 US disclosed
EP-0731795-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP disclosed
WO-1995015316-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G. D. SEARLE & CO. (US) 1995-06-08 WO 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-20040192930-A1 Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation IL6, HRH4, CCR2 CCNA2 3290/4885CDK2 2068/4885CCNA1 3607/4885

“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.