SCHEMBL3248259

SCHEMBL3248259

CS(=O)(=O)c1ccc(-c2ccccc2-n2cccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.61
DRD1 P21728 1/20 0.48
PTGS1 P23219 1/20 0.48
JAK2 O60674 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL3242006 0.76 PTGS2 (1.00) PTGS2PTGS1JAK2
SCHEMBL5502727 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL16978516 0.76 MGLL (0.50)
Hydrogen Sulfide SCHEMBL27744400 0.74 PTGS2 (0.96) PTGS2PTGS1
SCHEMBL28301092 0.73 PTGS2 (0.71) PTGS2DRD1PTGS1
SCHEMBL6732777 0.73 PTGS2 (0.78) PTGS2DRD1
SCHEMBL8444833 0.72 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL6438780 0.72 PTGS2 (0.50) PTGS2PTGS1JAK2
SCHEMBL215130 0.72 PTGS2 (1.00) PTGS2DRD1PTGS1
SCHEMBL399643 0.72 PTGS2 (0.69) PTGS2DRD1PTGS1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390026-B1 TREATMENT OF HPV CAUSED DISEASES CORNELL RES FOUNDATION INC (US) 2010-05-05 EP claimed
US-5932586-A ANTIINFLAMMATORY AGENTS; ANTIPYRETICS DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-03 US claimed
US-7041694-B1 Cyclooxygenase-2 inhibition CORNELL RESEARCH FOUNDATION, INC. (US) 2006-05-09 US disclosed
EP-1109553-A4 TREATING INFLAMMATORY DISEASES OF THE HEAD AND NECK WITH CYCLOOXYGENASE-2 INHIBITORS CORNELL RES FOUNDATION INC (US) 2003-12-10 EP disclosed
US-6486203-B1 Treating inflammatory diseases of the head and neck with cyclooxygenase-2 inhibitors CORNELL RESEARCH FOUNDATION, INC. 2002-11-26 US disclosed
US-6403630-B1 ADMINISTERING A CYCLOOXYGENASE-2 (COX-2) INHIBITOR ALONE OR IN COMBINATION WITH HERCEPTIN? ANTIBODY; USED TO TREAT BREAST CANCER CORNELL RESEARCH FOUNDATION, INC. 2002-06-11 US disclosed
EP-1109553-A1 TREATING INFLAMMATORY DISEASES OF THE HEAD AND NECK WITH CYCLOOXYGENASE-2 INHIBITORS CORNELL RESEARCH FOUNDATION, INC. (US) 2001-06-27 EP disclosed
WO-2000013685-A1 TREATING INFLAMMATORY DISEASES OF THE HEAD AND NECK WITH CYCLOOXYGENASE-2 INHIBITORS CORNELL RESEARCH FOUNDATION, INC. (US) 2000-03-16 WO disclosed
EP-0783486-B1 NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS DU PONT PHARM CO (US) 1999-10-13 EP disclosed
US-5932586-A ANTIINFLAMMATORY AGENTS; ANTIPYRETICS DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-03 US disclosed
EP-0783486-A1 NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-07-16 EP disclosed
US-5593994-A ANTIINFLAMMATORY AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-01-14 US disclosed
WO-1996010012-A1 NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-04-04 WO disclosed