SCHEMBL3246596

SCHEMBL3246596

CS(=O)(=O)c1ccc(-c2ccccc2Oc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 1.00
DRD1 P21728 2/20 0.61
PTGS1 P23219 3/20 0.54
BRD4 O60885 1/20 0.52
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
FFAR4 Q5NUL3 1/20 0.49

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
SCHEMBL1676179 0.94 PTGS2 (0.88) PTGS2DRD1PTGS1NCOA1NCOA3
SCHEMBL8484099 0.89 PTGS2 (0.81) PTGS2DRD1PTGS1
SCHEMBL25430418 0.84 PTGS2 (0.72) PTGS2DRD1PTGS1
SCHEMBL10712490 0.80 PTGS2 (0.67) PTGS2DRD1BRD4NCOA1NCOA3
SCHEMBL5502727 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7359540 0.79 SOS1 (0.64) PTGS2PTGS1
SCHEMBL10711068 0.79 NCOA1 (0.69) PTGS2BRD4NCOA1NCOA3FFAR4
SCHEMBL1958156 0.78 NCOA1 (0.74) PTGS2BRD4NCOA1NCOA3FFAR4
SCHEMBL1676176 0.78 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL8487062 0.77 DRD1 (0.69) PTGS2DRD1PTGS1

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
US-5932586-A ANTIINFLAMMATORY AGENTS; ANTIPYRETICS DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-03 US claimed
EP-1039914-A4 CYCLOOXYGENASE-2 INHIBITION CORNELL RES FOUNDATION INC (US) 2007-06-27 EP disclosed
EP-1146789-A4 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RES FOUNDATION INC (US) 2007-02-14 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-1146789-A1 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RESEARCH FOUNDATION, INC. (US) 2001-10-24 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-2000044225-A1 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/neu CORNELL RESEARCH FOUNDATION, INC. (US) 2000-08-03 WO 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
WO-1999030721-A1 CYCLOOXYGENASE-2 INHIBITION CORNELL RESEARCH FOUNDATION, INC. (US) 1999-06-24 WO 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