SCHEMBL4893458

SCHEMBL4893458

NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.67
CA2 P00918 8/20 0.67
CA1 P00915 7/20 0.67
CA9 Q16790 7/20 0.67
CA12 O43570 6/20 0.67
MT-CO2 P00403 3/20 0.67
CA4 P22748 2/20 0.67
CA7 P43166 2/20 0.67
PTGS1 P23219 2/20 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
CA6 P23280 1/20 0.67
SLC6A2 P23975 1/20 0.67
PDE4A P27815 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
SCHEMBL6170435 0.91 PTGS2 (0.66) PTGS2CA2CA1CA9CA12
SCHEMBL18794919 0.85 PTGS2 (0.55) PTGS2CA2CA1CA9CA12
SCHEMBL4810298 0.83 PTGS2 (0.71) PTGS2CA2CA1CA9CA12
SCHEMBL21675693 0.82 PTGS2 (0.72) PTGS2CA2CA1CA9CA12
SCHEMBL6168344 0.81 PTGS2 (1.00) PTGS2CA2CA1CA9CA12
SCHEMBL5322447 0.81 PTGS2 (0.71) PTGS2CA2CA1CA9CA12
Valdecoxib SCHEMBL3853130 0.81 PTGS2 (1.00) PTGS2CA2CA1CA9CA12
SCHEMBL14267626 0.81 PTGS2 (0.71) PTGS2CA2CA1CA9CA12
Valdecoxib SCHEMBL3356 0.81 PTGS2 (1.00) PTGS2CA2CA1CA9CA12
SCHEMBL7470185 0.81 PTGS2 (0.63) PTGS2CA2CA1CA9CA12

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 21 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
EP-0809636-B1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-04 EP claimed
EP-1223167-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle & Co. (US) 2002-07-17 EP 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-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-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
US-20060167075-A1 Modulators of FAAH IRONWOOD PHARMACEUTICALS, INC. 2006-07-27 US disclosed
EP-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 EP disclosed
CN-1442139-A Medicinal composition for treating inflammation SEARLE & CO (US) 2003-09-17 CN disclosed
CN-1107058-C Substituted isoxazoles for the treatment of disorders SEARLE & CO (US) 2003-04-30 CN disclosed
EP-1223167-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle & Co. (US) 2002-07-17 EP disclosed
US-5985902-A TREATING INFLAMMATION AND INFLAMMATION-ASSOCIATED DISORDERS, SUCH AS ARTHRITIS G.D. SEARLE & CO. (US) 1999-11-16 US disclosed
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US 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
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 (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-20080293679-A1 Use of carotenoids and/or carotenoid derivatives/analogs for reduction/inhibition of certain negative effects of COX inhibitors LPL, ALOX12, LCLAT1 PTGS2 9/4885CA2 2927/4885CA1 4043/4885
US-20060167075-A1 Modulators of FAAH FAAH, FAAH2, HCRTR2 PTGS2 107/4885CA2 2094/4885CA1 570/4885

“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.