SCHEMBL6025683

SCHEMBL6025683

NS(=O)(=O)c1ccccc1C(Br)C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 16/20 0.43
CA2 P00918 16/20 0.43
CA6 P23280 3/20 0.43
CA4 P22748 2/20 0.43
CA9 Q16790 14/20 0.41
CA12 O43570 9/20 0.41
CA7 P43166 3/20 0.40
CA5A P35218 3/20 0.39
CA14 Q9ULX7 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
CYP2C9 P11712 1/20 0.39
MAOA P21397 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CES2 O00748 1/20 0.37
LMNA P02545 1/20 0.37
CES1 P23141 1/20 0.37
PTGES O14684 1/20 0.37

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
SCHEMBL6025712 0.88 MAOA (0.40) CA1CA2CA6CA4CA9
SCHEMBL28221234 0.75 CA2 (0.56) CA1CA2CA6CA4CA9
SCHEMBL6025295 0.74 CA1 (0.53) CA1CA2CA6CA4CA9
SCHEMBL7846563 0.73 HTR2A (0.39)
SCHEMBL9276808 0.73 HSP90AA1 (0.44) TDP1L3MBTL1CES2LMNACES1
SCHEMBL8797718 0.73 MEN1 (0.46) TDP1L3MBTL1CES2LMNACES1
SCHEMBL28360228 0.72 CA2 (0.52) CA1CA2CA6CA4CA9
SCHEMBL7351490 0.71 MMP2 (0.60) CA1CA2CA6CA4CA9
SCHEMBL28739289 0.70 CYP2C9 (0.53) CYP2C9TDP1L3MBTL1CES2LMNA
SCHEMBL627867 0.69 CES2 (0.64) TDP1L3MBTL1CES2LMNACES1

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 2824/4885CA6 3837/4885
US-20020086886-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, PTGES2, PTGS2 CA1 3741/4885CA2 2286/4885CA6 3552/4885

“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.