SCHEMBL7815034

SCHEMBL7815034

CC(Oc1c(-c2ccc(S(C)(=O)=O)cc2)cnn(CC(F)(F)F)c1=O)C1CC1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.59
PTGS1 P23219 15/20 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
SCHEMBL4195994 0.91 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL4192411 0.83 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL4186240 0.83 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL4189050 0.82 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL4188414 0.82 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL4186365 0.82 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL4191872 0.81 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL4186267 0.81 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL4192089 0.81 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL4187463 0.80 PTGS2 (0.65) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP claimed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO claimed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed