SCHEMBL6440993

SCHEMBL6440993

CS(=O)(=O)c1ccc(-c2[nH]c(-c3cccnc3)nc2C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.52
PTGS1 P23219 3/20 0.51
MAPK14 Q16539 2/20 0.51
ALOX5 P09917 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CSNK1A1 P48729 1/20 0.51
CSNK1D P48730 1/20 0.51
CSNK1E P49674 1/20 0.51
MAPK11 Q15759 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CSNK1A1L Q8N752 1/20 0.51
NPY5R Q15761 1/20 0.44

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
SCHEMBL5500317 0.87 SCD (0.54) PTGS2PTGS1MAPK14ALOX5ALDH1A1
SCHEMBL5597237 0.85 PTGS2 (0.54) PTGS2PTGS1MAPK14ALOX5ALDH1A1
SCHEMBL5698659 0.83 ALOX5 (0.75) PTGS2PTGS1MAPK14ALOX5ALDH1A1
SCHEMBL5597026 0.83 PTGS2 (0.53) PTGS2MAPK14ALOX5ALDH1A1CSNK1A1
SCHEMBL6448446 0.81 MAPK14 (0.64) PTGS2PTGS1MAPK14ALOX5ALDH1A1
SCHEMBL6465182 0.81 SCD (0.56) PTGS2PTGS1MAPK14ALOX5ALDH1A1
SCHEMBL5144240 0.79 MAPK14 (0.51) MAPK14ALOX5ALDH1A1CSNK1A1CSNK1D
SCHEMBL7798253 0.79 CBFB (0.56) PTGS2PTGS1MAPK14ALOX5ALDH1A1
SCHEMBL5501473 0.78 PTGS2 (0.50) PTGS2PTGS1MAPK14ALOX5ALDH1A1
SCHEMBL7084444 0.77 PTGS2 (0.54) PTGS2PTGS1MAPK14ALOX5ALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833622-B8 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR SEARLE & CO (US) 2005-10-12 EP claimed
JP-2004531514-A 2004-10-14 JP claimed
US-20040044028-A1 Combinations of omega-3 fatty acids and cyclooxygenase-2 inhibitors for treatment or prevention of cardiovascular disease and treatment or prevention of cancer PHARMACIA CORPORATION 2004-03-04 US claimed
EP-1381369-A1 USE OF SELECTIVE COX-2 INHIBITORS FOR THE TREATMENT OF URINARY INCONTINENCE RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2004-01-21 EP claimed
US-20030211163-A1 Combination antiviral therapy PHARMACIA & UPJOHN COMPANY 2003-11-13 US claimed
US-20030199482-A1 Therapeutic combinations for cardiovascular and inflammatory indications PHARMACIA CORPORATION 2003-10-23 US claimed
WO-2002080927-A1 USE OF SELECTIVE COX-2 INHIBITORS FOR THE TREATMENT OF URINARY INCONTINENCE RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2002-10-17 WO claimed
EP-0888127-A1 COMBINATIONS HAVING IMMUNOSUPPRESSIVE EFFECTS, CONTAINING CYCLOOXYGENASE-2-INHIBITORS AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1999-01-07 EP claimed
EP-0833622-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR G.D. SEARLE & CO. (US) 1998-04-08 EP claimed
WO-1997029776-A1 COMBINATIONS HAVING IMMUNOSUPPRESSIVE EFFECTS, CONTAINING CYCLOOXYGENASE-2-INHIBITORS AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1997-08-21 WO claimed
WO-1996041626-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR G.D. SEARLE & CO. (US) 1996-12-27 WO claimed
US-20200054655-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS TRUSTEES OF TUFTS COLLEGE 2020-02-20 US disclosed
US-20040229803-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of pain, inflammation or inflammation mediated disorders PHARMACIA CORPORATION 2004-11-18 US disclosed
EP-1381369-A1 USE OF SELECTIVE COX-2 INHIBITORS FOR THE TREATMENT OF URINARY INCONTINENCE RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2004-01-21 EP disclosed
WO-2002080927-A1 USE OF SELECTIVE COX-2 INHIBITORS FOR THE TREATMENT OF URINARY INCONTINENCE RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2002-10-17 WO disclosed
US-6342510-B1 ANTIINFLAMMATORY AGENTS AND ENZYME INHIBITORS G. D. SEARLE & CO. 2002-01-29 US disclosed
EP-0880504-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-12-02 EP disclosed
WO-1997027181-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-07-31 WO disclosed
EP-0772600-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003388-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 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 (5 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-20030211163-A1 Combination antiviral therapy EIF2AK2, ZC3HAV1, VHL PTGS2 1846/4885PTGS1 1821/4885MAPK14 4390/4885
US-20040044028-A1 Combinations of omega-3 fatty acids and cyclooxygenase-2 inhibitors for treatment or prevention of cardiovascular disease and treatment or prevention of cancer PTGES3, PTGER3, PTGES2 PTGS2 8/4885PTGS1 15/4885MAPK14 1364/4885
US-20030199482-A1 Therapeutic combinations for cardiovascular and inflammatory indications HMGCR, HMGB2, HMGB3 PTGS2 7/4885PTGS1 18/4885MAPK14 2231/4885
US-20200054655-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS CASP1, CASP2, APAF1 PTGS2 24/4885PTGS1 11/4885MAPK14 1395/4885
US-20040229803-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of pain, inflammation or inflammation mediated disorders KCNJ2, KCNK2, TRPV2 PTGS2 21/4885PTGS1 51/4885MAPK14 832/4885

“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.