SCHEMBL3247112

SCHEMBL3247112

NS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccsc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.71
PTGS1 P23219 10/20 0.71
ABCB11 O95342 1/20 0.60
ALDH1A1 P00352 1/20 0.60

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
SCHEMBL215341 0.83 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL6352647 0.82 PTGS2 (0.80) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL3243184 0.81 PTGS2 (0.82) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL3249718 0.81 PTGS2 (0.95) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL212658 0.81 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL213150 0.81 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL6339240 0.81 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL7789562 0.81 PTGS2 (0.78) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL6339195 0.81 PTGS2 (0.90) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL5608566 0.79 PTGS2 (0.79) PTGS2PTGS1ABCB11ALDH1A1

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 7 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-1146789-B1 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RES FOUNDATION INC (US) 2009-03-18 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
US-5466823-A Antiinflammatory agents; FDA Orange book listed patent for Celebrex G.D. SEARLE & CO. (US) 1995-11-14 US disclosed