SCHEMBL5208760

SCHEMBL5208760

CC1(C)OC(=O)C(Sc2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.80
PTGS1 P23219 14/20 0.80

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
SCHEMBL5204814 0.89 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5204904 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3240080 0.81 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL7491749 0.79 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL5210855 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5210262 0.76 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL7482159 0.75 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5203049 0.74 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL5207831 0.74 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL7829892 0.73 PTGS2 (1.00) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863891-B1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2002-12-11 EP claimed
EP-0863891-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-09-16 EP claimed
WO-1997014691-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-04-24 WO claimed
US-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed
EP-1259235-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2007-08-01 EP disclosed
US-7109204-B2 controlling signal transduction; anticancer agents, antitumor agents, atherosclerosis, vision defects, antidiabetic agents, antiinflammatory agents MERCK & CO., INC. (US) 2006-09-19 US disclosed
US-7101884-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-09-05 US disclosed
EP-1404672-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2006-01-18 EP disclosed
US-6958340-B2 such as N-[3-methyl-5-(trifluoromethyl)phenyl]-4-(2-phenyl-1H-imidazol-1-yl)pyrimidin-2-amine; treating breast cancer; use in combination with estrogen receptor modulators such as tamoxifen and raloxifene MERCK & CO., INC. (US) 2005-10-25 US disclosed
US-6927293-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2005-08-09 US disclosed
US-6875767-B2 (5-cyano-2-thiazolyl)amino-4-pyridine tyrosine kinase inhibitors MERCK & CO., INC. (US) 2005-04-05 US disclosed
EP-0882016-B1 ALKYLATED STYRENES AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2000-05-31 EP disclosed
US-6057319-A CYCLOOXYGENASE-2 INHIBITORS; NON-STEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2000-05-02 US disclosed
US-6020343-A (Methylsulfonyl)phenyl-2-(5H)-furanones as COX-2 inhibitors MERCK FROSST CANADA, INC. (CA) 2000-02-01 US disclosed
US-5981576-A (Methylsulfonyl)phenyl-2-(5H)-furanones as COX-2 inhibitors MERCK FROSST CANADA, INC. (CA) 1999-11-09 US disclosed
US-5925631-A NOVEL PRODRUGS ARE CONVERTED IN VIVO TO SELECTIVE CYCLOOXYGENASE-2 INHIBITORS; NONSTEROIDAL ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 1999-07-20 US disclosed
EP-0863891-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-09-16 EP disclosed
US-5789413-A ANTIINFLAMMATORY AGENT MERCK FROSST CANADA, INC. (CA) 1998-08-04 US disclosed
US-5698584-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1997-12-16 US disclosed
WO-1997014691-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-04-24 WO disclosed