SCHEMBL2159864

SCHEMBL2159864

CS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(F)c3)C(=O)OC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 1.00
PTGS1 P23219 8/20 1.00
ABCB11 O95342 1/20 0.68
ALDH1A1 P00352 1/20 0.68
MT-CO2 P00403 1/20 0.68
HTR1A P08908 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
MC4R P32245 1/20 0.68

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
SCHEMBL3246244 0.88 PTGS2 (0.79) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL3240154 0.88 PTGS2 (0.79) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL3249270 0.88 PTGS2 (0.79) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL3246423 0.88 PTGS2 (0.79) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6738195 0.87 PTGS2 (0.77) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6731769 0.86 PTGS2 (0.76) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL4889613 0.86 PTGS2 (0.76) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL3249585 0.86 PTGS2 (0.76) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6726349 0.85 PTGS2 (0.74) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL3246332 0.85 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1MT-CO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927555-B1 Use of cyclooxygenase-2 inhibitors for the treatment and prevention of tumours, tumour-related disorders and cachexia DAIICHI SANKYO CO LTD (JP) 2011-10-05 EP claimed
EP-1390026-B1 TREATMENT OF HPV CAUSED DISEASES CORNELL RES FOUNDATION INC (US) 2010-05-05 EP claimed
EP-1061908-A4 COMBINATION THERAPY AND COMPOSITION FOR ACUTE CORONARY ISCHEMIC SYNDROME AND RELATED CONDITIONS MERCK & CO INC (US) 2007-01-24 EP claimed
US-7132441-B2 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor and a 5-lipoxygenase inhibitor G.D. SEARLE & CO. (US) 2006-11-07 US claimed
EP-0880362-B1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE B 4 RECEPTOR ANTAGONIST SEARLE & CO (US) 2005-05-25 EP claimed
US-20050043355-A1 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor and a leukotriene A4 hydrolase inhibitor PHARMACIA CORPORATION 2005-02-24 US claimed
US-20050004199-A1 Treatment of inflammation with a combination of a cyclooxygenase-2 inhibitor and an integrin alpha-v antagonist HARTMAN GEORGE (US) 2005-01-06 US claimed
EP-1024696-A4 COMBINATION THERAPY FOR REDUCING THE RISKS ASSOCIATED WITH CARDIO- AND CEREBROVASCULAR DISEASE MERCK & CO INC (US) 2004-07-14 EP claimed
US-20040106668-A1 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor, a leukotriene B4 receptor inhibitor and a cyclosporin PHARMACIA CORPORATION 2004-06-03 US claimed
EP-1349548-A4 METHODS AND COMPOSITIONS FOR TREATING PERIODONTAL DISEASE MERCK & CO INC (US) 2004-06-02 EP claimed
WO-1997029775-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE B4 RECEPTOR ANTAGONIST G.D. SEARLE & CO. (US) 1997-08-21 WO claimed
WO-1997011701-A1 COMPOSITIONS FOR TREATING INFLAMMATION CONTAINING CERTAIN PROSTAGLANDINS AND A SELECTIVE CYCLOOXYGENASE-2 INHIBITOR MERCK-FROSST CANADA INC. (CA) 1997-04-03 WO claimed
EP-0758229-A1 TOPICAL POLYMERIC DRUG DELIVERY SYSTEM MERCK FROSST CANADA INC. (CA) 1997-02-19 EP claimed
EP-0754687-A1 Phenyl heterocycles as cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC. (CA) 1997-01-22 EP claimed
EP-0739340-A1 PHENYL HETEROCYCLES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-10-30 EP claimed
EP-0705254-A1 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-04-10 EP claimed
US-5474995-A Nonsteroidal, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1995-12-12 US claimed
WO-1995030409-A1 TOPICAL POLYMERIC DRUG DELIVERY SYSTEM MERCK FROSST CANADA INC. (CA) 1995-11-16 WO claimed
WO-1995018799-A1 PHENYL HETEROCYCLES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1995-07-13 WO claimed
WO-1995000501-A2 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1995-01-05 WO claimed

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-20040106668-A1 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor, a leukotriene B4 receptor inhibitor and a cyclosporin LTB4R2, LTB4R, CYSLTR2 PTGS2 9/4885PTGS1 14/4885ABCB11 3091/4885
US-20050043355-A1 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor and a leukotriene A4 hydrolase inhibitor LTA4H, LTB4R2, LTB4R PTGS2 9/4885PTGS1 12/4885ABCB11 3035/4885
US-20050004199-A1 Treatment of inflammation with a combination of a cyclooxygenase-2 inhibitor and an integrin alpha-v antagonist ITGAV, ITGA5, ITGB5 PTGS2 27/4885PTGS1 36/4885ABCB11 3569/4885

“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.