SCHEMBL3240000

SCHEMBL3240000

Cc1cc(COc2ccccc2O)nn1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 10/20 0.52
CA1 P00915 9/20 0.52
CA2 P00918 9/20 0.52
PTGS2 P35354 5/20 0.48
PTGS1 P23219 1/20 0.45
CA12 O43570 1/20 0.44
MMP2 P08253 1/20 0.43

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
SCHEMBL30194239 0.86 PTGS2 (0.69) CA9CA1CA2PTGS2PTGS1
SCHEMBL3103871 0.73 CA1 (0.50) CA9CA1CA2PTGS2PTGS1
SCHEMBL14292307 0.73 CA1 (0.50) CA9CA1CA2PTGS2PTGS1
SCHEMBL20042423 0.73 CA9 (0.47) CA9CA1CA2PTGS2PTGS1
SCHEMBL20042435 0.73 PTGS2 (0.58) CA9CA1CA2PTGS2PTGS1
SCHEMBL3107422 0.73 CA1 (0.56) CA9CA1CA2PTGS2PTGS1
SCHEMBL20042422 0.72 PTGS2 (0.48) CA9CA1CA2PTGS2PTGS1
SCHEMBL5698738 0.71 PTGS2 (0.65) CA9CA1CA2PTGS2PTGS1
SCHEMBL20042412 0.70 PTGS2 (0.57) CA9CA1CA2PTGS2PTGS1
SCHEMBL20042430 0.69 CA9 (0.47) CA9CA1CA2PTGS2PTGS1

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
EP-1146789-B1 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RES FOUNDATION INC (US) 2009-03-18 EP claimed
EP-1390026-B1 TREATMENT OF HPV CAUSED DISEASES CORNELL RES FOUNDATION INC (US) 2010-05-05 EP disclosed
EP-1146789-B1 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RES FOUNDATION INC (US) 2009-03-18 EP disclosed
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
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-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-1999030721-A1 CYCLOOXYGENASE-2 INHIBITION CORNELL RESEARCH FOUNDATION, INC. (US) 1999-06-24 WO disclosed