SCHEMBL5071029

SCHEMBL5071029

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.77
MT-CO2 P00403 3/20 0.77
NR4A2 P43354 1/20 0.77
PTGS1 P23219 4/20 0.65
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
LMNA P02545 1/20 0.65
CA3 P07451 1/20 0.65
ADRB2 P07550 1/20 0.65
ADRB1 P08588 1/20 0.65
CYP3A4 P08684 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
CHRM1 P11229 1/20 0.65
ADRA2B P18089 1/20 0.65
CA4 P22748 1/20 0.65
CA6 P23280 1/20 0.65
SLC6A2 P23975 1/20 0.65
PDE4A P27815 1/20 0.65
ADORA1 P30542 1/20 0.65

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
SCHEMBL5073588 0.93 PTGS2 (0.81) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL5069873 0.90 PTGS2 (0.77) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL6022600 0.90 PTGS2 (0.72) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL13772645 0.88 PTGS2 (0.85) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL5071829 0.88 PTGS2 (0.78) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL5071849 0.88 PTGS2 (0.74) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL5481289 0.87 PTGS2 (1.00) PTGS2MT-CO2NR4A2PTGS1CA12
Parecoxib SCHEMBL9529 0.87 PTGS2 (1.00) PTGS2MT-CO2NR4A2PTGS1CA12
Parecoxib SCHEMBL29561416 0.87 PTGS2 (1.00) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL5071875 0.87 PTGS2 (0.72) PTGS2MT-CO2NR4A2PTGS1CA12

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 15 patents. 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
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
US-20050227929-A1 Combination therapy comprising a Cox-2 inhibitor and an antineoplastic agent PHARMACIA & UPJOHN, LLC 2005-10-13 US disclosed
US-20050032851-A1 Process for preparing prodrugs of benzenesulfonamide-containing COX-2 inhibitors PHARMACIA CORPORATION 2005-02-10 US disclosed
US-6815460-B2 Process for preparing prodrugs of benzenesulfonamide-containing cox-2 inhibitors PHARMACIA CORPORATION 2004-11-09 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
EP-0892791-A1 SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AS PRODRUGS OF COX-2 INHIBITORS G.D. SEARLE & CO. (US) 1999-01-27 EP 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 2100/4885NR4A2 978/4885
US-20050032851-A1 Process for preparing prodrugs of benzenesulfonamide-containing COX-2 inhibitors PTGS2, PTGES2, PTGES PTGS2 1/4885MT-CO2 2339/4885NR4A2 904/4885
US-20050227929-A1 Combination therapy comprising a Cox-2 inhibitor and an antineoplastic agent PTGES2, PTGS2, PTGER2 PTGS2 2/4885MT-CO2 687/4885NR4A2 1396/4885

“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.