SCHEMBL7488169

SCHEMBL7488169

CC1(C)OC(=O)C(Oc2ncccc2N)=C1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.77
PTGS1 P23219 10/20 0.77

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
SCHEMBL5204929 0.88 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL5208892 0.88 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL5207849 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7493186 0.84 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL5207098 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7687607 0.83 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL5208016 0.82 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5204562 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5205560 0.81 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL7487002 0.80 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 9 patents. 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 disclosed
EP-0904269-B1 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2002-01-23 EP disclosed
US-6169188-B1 TREATING CYCLOOXYGENASE-2 MEDIATED DISEASES MERCK FROSST CANADA & CO. (CA) 2001-01-02 US 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
EP-0863891-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-09-16 EP 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