SCHEMBL6026019

SCHEMBL6026019

NS(=O)(=O)c1ccc(-c2oc(Cc3ccc(I)cc3)nc2-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.49
CA2 P00918 6/20 0.49
CA12 O43570 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 1/20 0.49
PTGS2 P35354 5/20 0.46
PTGS1 P23219 2/20 0.46
NR4A2 P43354 6/20 0.45
NR4A1 P22736 2/20 0.45
NR4A3 Q92570 2/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
RXRA P19793 5/20 0.43
RXRB P28702 5/20 0.43
RXRG P48443 4/20 0.43
KDM4E B2RXH2 1/20 0.43
ABCC4 O15439 1/20 0.43
C5 P01031 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 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
SCHEMBL7503191 0.92 CA1 (0.55) CA1CA2CA12CA9CA14
SCHEMBL7501428 0.92 CA1 (0.55) CA1CA2CA12CA9CA14
SCHEMBL7505978 0.85 RXRA (0.53) CA1CA2CA12CA9CA14
SCHEMBL7505500 0.85 PTGS2 (0.61) CA1CA2CA12CA9CA14
SCHEMBL7501237 0.85 PTGS2 (0.61) CA1CA2CA12CA9CA14
SCHEMBL7503904 0.85 RXRA (0.53) CA1CA2CA12CA9CA14
SCHEMBL7504153 0.85 RXRA (0.53) CA1CA2CA12CA9CA14
SCHEMBL7500801 0.85 RXRA (0.53) CA1CA2CA12CA9CA14
SCHEMBL9098559 0.85 RXRA (0.60) CA1CA2PTGS2PTGS1NR4A2
SCHEMBL8551313 0.83 NR4A2 (0.41) PTGS2PTGS1NR4A2NR4A1NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6998415-B2 Pyrazolyl derivatives; antiinflammatory agents for inflammation; antiallergens for asthma PHARMACIA CORPORATION (US) 2006-02-14 US disclosed
US-20040147565-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors G.D. SEARLE & CO. 2004-07-29 US disclosed
US-6677364-B2 ANTI-INFLAMMATORY, ANTIPYRETIC, ANALGESIC COMPOSITIONS G.D. SEARLE & CO. 2004-01-13 US disclosed
EP-0828736-B1 SUBSTITUTED SULFONYLPHENYLHETEROCYCLES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS SEARLE & CO (US) 2003-07-30 EP disclosed
EP-0995747-B1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors SEARLE & CO (US) 2002-08-07 EP disclosed
US-20020086886-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors G.D. SEARLE & CO. 2002-07-04 US disclosed
EP-0995747-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors G.D. SEARLE & CO. (US) 2000-04-26 EP disclosed
EP-0828736-A1 SUBSTITUTED SULFONYLPHENYLHETEROCYCLES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1998-03-18 EP disclosed
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
WO-1996038442-A1 SUBSTITUTED SULFONYLPHENYLHETEROCYCLES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1996-12-05 WO disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 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 (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-20040147565-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX12, ALOX15 CA1 4399/4885CA2 2824/4885CA12 4717/4885
US-20020086886-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, PTGES2, PTGS2 CA1 3741/4885CA2 2286/4885CA12 4601/4885

“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.