SCHEMBL5069852

SCHEMBL5069852

Cc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)NC(C)(C)C)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.75
MT-CO2 P00403 3/20 0.75
PTGS1 P23219 5/20 0.67
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
LMNA P02545 1/20 0.67
CA3 P07451 1/20 0.67
ADRB2 P07550 1/20 0.67
ADRB1 P08588 1/20 0.67
CYP3A4 P08684 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
CHRM1 P11229 1/20 0.67
ADRA2B P18089 1/20 0.67
CA4 P22748 1/20 0.67
CA6 P23280 1/20 0.67
SLC6A2 P23975 1/20 0.67
PDE4A P27815 1/20 0.67
ADORA1 P30542 1/20 0.67
CA5A P35218 1/20 0.67

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
SCHEMBL28922237 0.87 PTGS2 (0.82) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL5071844 0.86 PTGS2 (0.81) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL5481289 0.86 PTGS2 (1.00) PTGS2MT-CO2PTGS1CA12CA1
Water SCHEMBL5477391 0.85 PTGS2 (1.00) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL5071050 0.84 PTGS2 (0.77) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL5073588 0.84 PTGS2 (0.81) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL5071875 0.83 PTGS2 (0.72) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL6262268 0.83 PTGS2 (0.75) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL28961699 0.83 PTGS2 (0.79) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL11925221 0.82 PTGS2 (0.75) PTGS2MT-CO2PTGS1CA12CA1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069287-A1 Process for preparing prodrugs of benzenesulfonamide-containing cox-2 inhibitors PHARMACIA CORPORATION 2003-04-10 US claimed
EP-1288206-A1 Substituted benzenesulfonamide derivatives as prodrugs of COX-2 inhibitors G.D. SEARLE & CO. (US) 2003-03-05 EP claimed
JP-3382624-B2 2003-03-04 JP claimed
US-6436967-B1 PREFERENTIAL CYCLOOXYGENASE INHIBITORS USED AS INJECTABLE ANALGESIC AND ANTIINFLAMMATORY AGENTS HAVING REDUCED SIDE EFFECTS; ACYLATION PHARMACIA CORPORATION 2002-08-20 US claimed
JP-2000509029-A 2000-07-18 JP claimed
EP-0892791-A1 SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AS PRODRUGS OF COX-2 INHIBITORS G.D. SEARLE & CO. (US) 1999-01-27 EP claimed
WO-1997038986-A1 SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AS PRODRUGS OF COX-2 INHIBITORS G.D. SEARLE & CO. (US) 1997-10-23 WO claimed
EP-1288206-B1 Substituted benzenesulfonamide derivatives as prodrugs of COX-2 inhibitors SEARLE LLC (US) 2008-09-17 EP disclosed
US-7420061-B2 Process for preparing prodrugs of benzenesulfonamide-containing COX-2 inhibitors PHARMACIA CORPORATION (US) 2008-09-02 US disclosed
EP-1725222-A2 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PSYCHIATRIC DISORDERS WITH COX-2 INHIBITORS ALONE AND IN COMBINATION WITH ANTIDEPRESSANT AGENTS Pharmacia Corporation (US) 2006-11-29 EP disclosed
EP-1691797-A2 COMBINATION OF CYCLOOXYGENASE-2 INHIBITOR AND PHOSPHODIESTERASE 4 INHIBITOR AND METHOD Pharmacia Corporation (US) 2006-08-23 EP disclosed
EP-1611095-A2 A METHOD OF PROVIDING A STEROID-SPARING BENEFIT WITH A CYCLOOXYGENASE-2 INHIBITOR AND COMPOSITIONS THEREWITH Pharmacia Corporation (US) 2006-01-04 EP disclosed
US-20050227929-A1 Combination therapy comprising a Cox-2 inhibitor and an antineoplastic agent PHARMACIA & UPJOHN, LLC 2005-10-13 US disclosed
US-20040204471-A1 Treatment and prevention of otic disorders with Cox-2 inhibitors alone or in combination with otic agents PHARMACIA CORPORATION (US) 2004-10-14 US disclosed
US-20030069287-A1 Process for preparing prodrugs of benzenesulfonamide-containing cox-2 inhibitors PHARMACIA CORPORATION 2003-04-10 US disclosed
EP-1288206-A1 Substituted benzenesulfonamide derivatives as prodrugs of COX-2 inhibitors G.D. SEARLE & CO. (US) 2003-03-05 EP disclosed
US-6436967-B1 PREFERENTIAL CYCLOOXYGENASE INHIBITORS USED AS INJECTABLE ANALGESIC AND ANTIINFLAMMATORY AGENTS HAVING REDUCED SIDE EFFECTS; ACYLATION PHARMACIA CORPORATION 2002-08-20 US disclosed
US-5932598-A NOVEL SUBSTITUTED SULFONAMIDE COMPOUNDS USEFUL AS PRODRUGS; ADMINISTERING TO TREAT INFLAMMATION-ASSOCIATED PAIN DUE TO CANCER, DENTAL PAIN; CYCLOOXYGENASE-2 INHIBITORS G. D. SEARLE & CO. (US) 1999-08-03 US disclosed
EP-0892791-A1 SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AS PRODRUGS OF COX-2 INHIBITORS G.D. SEARLE & CO. (US) 1999-01-27 EP disclosed
WO-1997038986-A1 SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AS PRODRUGS OF COX-2 INHIBITORS G.D. SEARLE & CO. (US) 1997-10-23 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 (3 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-20030069287-A1 Process for preparing prodrugs of benzenesulfonamide-containing cox-2 inhibitors PTGS2, PTGES2, PTGES PTGS2 1/4885MT-CO2 2100/4885PTGS1 4/4885
US-20040204471-A1 Treatment and prevention of otic disorders with Cox-2 inhibitors alone or in combination with otic agents OTC, PTGS2, PTGES2 PTGS2 2/4885MT-CO2 19/4885PTGS1 4/4885
US-20050227929-A1 Combination therapy comprising a Cox-2 inhibitor and an antineoplastic agent PTGES2, PTGS2, PTGER2 PTGS2 2/4885MT-CO2 687/4885PTGS1 4/4885

“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.