SCHEMBL4880699

SCHEMBL4880699

Cc1onc(-c2cccc(F)c2)c1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 0.75
▸ PTGS1 P23219 5/20 0.73
▸ MT-CO2 P00403 3/20 0.73
▸ CA4 P22748 2/20 0.73
▸ CA12 O43570 1/20 0.73
▸ CA1 P00915 1/20 0.73
▸ CA2 P00918 1/20 0.73
▸ LMNA P02545 1/20 0.73
▸ CA3 P07451 1/20 0.73
▸ ADRB2 P07550 1/20 0.73
▸ ADRB1 P08588 1/20 0.73
▸ CYP3A4 P08684 1/20 0.73
▸ ADORA3 P0DMS8 1/20 0.73
▸ CHRM1 P11229 1/20 0.73
▸ ADRA2B P18089 1/20 0.73
▸ CA6 P23280 1/20 0.73
▸ SLC6A2 P23975 1/20 0.73
▸ PDE4A P27815 1/20 0.73
▸ ADORA1 P30542 1/20 0.73
▸ CA5A P35218 1/20 0.73

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
SCHEMBL6169904 0.89 PTGS2 (0.81) PTGS2PTGS1MT-CO2CA4CA12
SCHEMBL31213504 0.89 PTGS2 (0.78) PTGS2PTGS1MT-CO2CA4CA12
SCHEMBL4891025 0.86 PTGS2 (0.73) PTGS2PTGS1MT-CO2CA4CA12
SCHEMBL14267686 0.86 PTGS2 (1.00) PTGS2PTGS1MT-CO2CA4CA12
SCHEMBL4800858 0.86 PTGS2 (1.00) PTGS2PTGS1MT-CO2CA4CA12
SCHEMBL6169347 0.85 PTGS2 (0.73) PTGS2PTGS1MT-CO2CA4CA12
SCHEMBL6170316 0.85 PTGS2 (0.74) PTGS2PTGS1MT-CO2CA4CA12
SCHEMBL6725408 0.85 PTGS2 (0.54) PTGS2PTGS1MT-CO2CA4CA12
Valdecoxib SCHEMBL3356 0.84 PTGS2 (1.00) PTGS2PTGS1MT-CO2CA4CA12
SCHEMBL6168344 0.84 PTGS2 (1.00) PTGS2PTGS1MT-CO2CA4CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 — — EP claimed
CN-1442139-A Medicinal composition for treating inflammation SEARLE & CO (US) 2003-09-17 — — CN claimed
CN-1107058-C Substituted isoxazoles for the treatment of disorders SEARLE & CO (US) 2003-04-30 — — CN claimed
EP-1223167-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle & Co. (US) 2002-07-17 — — EP claimed
CN-1181075-A Substituted isoxazoles for the treatment of disorders SEARLE & CO (US) 1998-05-06 — — CN claimed
EP-0809636-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-12-03 — — EP claimed
US-5633272-A Substituted isoxazoles for the treatment of inflammation PHARMACIA & UPJOHN COMPANY LLC 1997-05-27 — — US claimed
WO-1996025405-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-22 — — WO claimed
US-20080293679-A1 Use of carotenoids and/or carotenoid derivatives/analogs for reduction/inhibition of certain negative effects of COX inhibitors CARDAX PHARMACEUTICALS, INC. 2008-11-27 — — US disclosed
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-1890729-A2 USE OF CAROTENOIDS AND/OR CAROTENOID DERIVATIVES/ANALOGS FOR REDUCTION/INHIBITION OF CERTAIN NEGATIVE EFFECTS OF COX INHIBITORS Cardax Pharmaceuticals, Inc. (US) 2008-02-27 — — EP disclosed
WO-2007129169-A2 COX- II INHIBITORS FOR IMPROVING REPRODUCTIVE SUCCESS IN A FEMALE ANIMAL PFIZER LIMITED (GB) 2007-11-15 — — WO disclosed
WO-2006119168-A2 USE OF CAROTENOIDS AND/OR CAROTENOID DERIVATIVES/ANALOGS FOR REDUCTION/INHIBITION OF CERTAIN NEGATIVE EFFECTS OF COX INHIBITORS CARDAX PHARMACEUTICALS, INC. (US) 2006-11-09 — — WO disclosed
EP-0892791-A1 SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AS PRODRUGS OF COX-2 INHIBITORS G.D. SEARLE & CO. (US) 1999-01-27 — — EP disclosed
CN-1181075-A Substituted isoxazoles for the treatment of disorders SEARLE & CO (US) 1998-05-06 — — CN disclosed
EP-0809636-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-12-03 — — EP disclosed
WO-1997038986-A1 SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AS PRODRUGS OF COX-2 INHIBITORS G.D. SEARLE & CO. (US) 1997-10-23 — — WO disclosed
US-5633272-A Substituted isoxazoles for the treatment of inflammation PHARMACIA & UPJOHN COMPANY LLC 1997-05-27 — — US disclosed
WO-1996025405-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-22 — — 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-20080293679-A1 Use of carotenoids and/or carotenoid derivatives/analogs for reduction/inhibition of certain negative effects of COX inhibitors LPL, ALOX12, LCLAT1 PTGS2 9/4885PTGS1 26/4885MT-CO2 520/4885

“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.

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