SCHEMBL4888565

SCHEMBL4888565

COc1ccc(-c2noc(C)c2-c2ccc(S(N)(=O)=O)cc2)cc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.67
PTGS1 P23219 12/20 0.61
CA12 O43570 1/20 0.61
MT-CO2 P00403 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
LMNA P02545 1/20 0.61
CA3 P07451 1/20 0.61
ADRB2 P07550 1/20 0.61
ADRB1 P08588 1/20 0.61
CYP3A4 P08684 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CHRM1 P11229 1/20 0.61
ADRA2B P18089 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
SLC6A2 P23975 1/20 0.61
PDE4A P27815 1/20 0.61
ADORA1 P30542 1/20 0.61
CA5A P35218 1/20 0.61

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
SCHEMBL6169938 0.89 PTGS2 (0.58) PTGS2PTGS1CDK2
SCHEMBL6014042 0.87 PTGS2 (0.62) PTGS2PTGS1CA12MT-CO2CA1
SCHEMBL6168064 0.87 PTGS2 (0.68) PTGS2PTGS1CA12MT-CO2CA1
SCHEMBL6170316 0.87 PTGS2 (0.74) PTGS2PTGS1CA12MT-CO2CA1
SCHEMBL6171866 0.86 PTGS2 (0.61) PTGS2PTGS1CA12MT-CO2CA1
SCHEMBL4891025 0.86 PTGS2 (0.73) PTGS2PTGS1CA12MT-CO2CA1
SCHEMBL6168516 0.86 PTGS2 (0.55) PTGS2PTGS1CA4CDK2
SCHEMBL6167687 0.86 PTGS2 (0.55) PTGS2PTGS1CDK2
SCHEMBL6168801 0.86 PTGS2 (0.55) PTGS2PTGS1CDK2
SCHEMBL6170654 0.86 PTGS2 (0.55) PTGS2PTGS1CDK2

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 23 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-1107058-C Substituted isoxazoles for the treatment of disorders SEARLE & CO (US) 2003-04-30 CN 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
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-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
CN-1214790-C Medicinal composition for treating inflammation SEARLE & CO (US) 2005-08-17 CN disclosed
EP-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 EP 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
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 9/4885PTGS1 26/4885CA12 3703/4885
US-20060167075-A1 Modulators of FAAH FAAH, FAAH2, HCRTR2 PTGS2 107/4885PTGS1 73/4885CA12 2146/4885

“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.