SCHEMBL5694265

SCHEMBL5694265

CC(C)CN[S+]([O-])c1ccc2c(c1)C=C(C(=O)O)C(C(F)(F)F)O2

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.58
PTGS1 P23219 11/20 0.58

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
SCHEMBL6153552 0.85 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL6094047 0.81 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6063515 0.81 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8297099 0.81 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8311542 0.80 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL6095071 0.78 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL29527405 0.78 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL214284 0.78 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8289129 0.77 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL6596082 0.76 PTGS2 (0.61) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653967-A2 COMBINATION OF A COX-2 INHIBITOR AND AN ALKYLATING-TYPE ANTINEOPLASTIC AGENT FOR TREATMENT OF NEOPLASIA Pharmacia Corporation (US) 2006-05-10 EP disclosed
EP-1653940-A1 THERAPEUTIC COMBINATION OF A COX-2 INHIBITOR AND AN AROMATASE INHIBITOR Pharmacia Corporation (US) 2006-05-10 EP disclosed
WO-2005018569-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SEROTONIN MODULATING AGENT FOR THE TREATMENT OF NEOPLASIA PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
WO-2004093856-A2 COMBINATION OF A COX-2 INHIBITOR AND AN ALKYLATING-TYPE ANTINEOPLASTIC AGENT FOR TREATMENT OF NEOPLASIA PHARMACIA CORPORATION (US) 2004-11-04 WO disclosed
WO-2004093868-A1 THERAPEUTIC COMBINATION OF A COX-2 INHIBITOR AND AN AROMATASE INHIBITOR PHARMACIA CORPORATION (US) 2004-11-04 WO disclosed