SCHEMBL3245505

SCHEMBL3245505

CS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)nc3scnn23)cc1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.64
PTGS1 P23219 3/20 0.64

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
SCHEMBL3245509 1.00 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL3246992 0.89 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL3246986 0.89 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL3247762 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL22761655 0.71 PTGER1 (0.39) PTGS2PTGS1
SCHEMBL5698757 0.70 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7084455 0.70 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL5698725 0.70 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL8565114 0.69 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7084174 0.69 PTGS2 (0.53) 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 18 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
EP-0802917-B1 ARYL SUBSTITUTED 5,5 FUSED AROMATIC NITROGEN COMPOUNDS AS ANTI-INFLAMMATORY AGENTS MERCK FROSST CANADA INC (CA) 2001-11-07 EP claimed
EP-0802917-A1 ARYL SUBSTITUTED 5,5 FUSED AROMATIC NITROGEN COMPOUNDS AS ANTI-INFLAMMATORY AGENTS MERCK FROSST CANADA INC. (CA) 1997-10-29 EP claimed
US-5552422-A Aryl substituted 5,5 fused aromatic nitrogen compounds as anti-inflammatory agents MERCK FROSST CANADA, INC. (CA) 1996-09-03 US claimed
WO-1996021667-A1 ARYL SUBSTITUTED 5,5 FUSED AROMATIC NITROGEN COMPOUNDS AS ANTI-INFLAMMATORY AGENTS MERCK FROSST CANADA INC. (CA) 1996-07-18 WO claimed
EP-1039914-A4 CYCLOOXYGENASE-2 INHIBITION CORNELL RES FOUNDATION INC (US) 2007-06-27 EP disclosed
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-0802917-B1 ARYL SUBSTITUTED 5,5 FUSED AROMATIC NITROGEN COMPOUNDS AS ANTI-INFLAMMATORY AGENTS MERCK FROSST CANADA INC (CA) 2001-11-07 EP 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
EP-1039914-A1 CYCLOOXYGENASE-2 INHIBITION CORNELL RESEARCH FOUNDATION, INC. (US) 2000-10-04 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
WO-1999030721-A1 CYCLOOXYGENASE-2 INHIBITION CORNELL RESEARCH FOUNDATION, INC. (US) 1999-06-24 WO disclosed
EP-0802917-A1 ARYL SUBSTITUTED 5,5 FUSED AROMATIC NITROGEN COMPOUNDS AS ANTI-INFLAMMATORY AGENTS MERCK FROSST CANADA INC. (CA) 1997-10-29 EP disclosed
US-5552422-A Aryl substituted 5,5 fused aromatic nitrogen compounds as anti-inflammatory agents MERCK FROSST CANADA, INC. (CA) 1996-09-03 US disclosed
WO-1996021667-A1 ARYL SUBSTITUTED 5,5 FUSED AROMATIC NITROGEN COMPOUNDS AS ANTI-INFLAMMATORY AGENTS MERCK FROSST CANADA INC. (CA) 1996-07-18 WO disclosed