SCHEMBL8289148

SCHEMBL8289148

COc1ccc(C2=C(c3ccc(CS(=O)O)cc3)CN(c3cccc(F)c3)C2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 14/20 0.67
PTGS2 P35354 12/20 0.67
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
P2RX7 Q99572 1/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8287007 0.88 PTGS1 (0.65) PTGS1PTGS2POLB
SCHEMBL8289158 0.88 PTGS1 (0.64) PTGS1PTGS2POLBTDP1
SCHEMBL8302475 0.87 PTGS1 (0.71) PTGS1PTGS2HTR2CHTR2BP2RX7
SCHEMBL14516244 0.85 PTGS1 (0.79) PTGS1PTGS2
SCHEMBL14497487 0.84 PTGS1 (0.77) PTGS1PTGS2POLBTDP1
SCHEMBL8289162 0.81 PTGS1 (0.60) PTGS1PTGS2P2RX7
SCHEMBL8289145 0.80 PTGS1 (0.55) PTGS1PTGS2P2RX7POLB
SCHEMBL8289146 0.80 PTGS1 (0.67) PTGS1PTGS2POLB
SCHEMBL8289159 0.78 PTGS1 (0.57) PTGS1PTGS2POLB
SCHEMBL8287003 0.78 PTGS1 (0.62) PTGS1PTGS2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005046615-A2 COMPOSITIONS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM MEDIATED DISORDERS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-05-26 WO disclosed
WO-2005037193-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR ADMINISTERED UNDER HYPOTHERMIC CONDITIONS FOR THE TREATMENT OF ISCHEMIC MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY PHARMACIA CORPORATION (US) 2005-04-28 WO 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-2005009354-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN IKK INHIBITOR FOR THE TREATMENT OF ISCHEMIC-MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY PHARMACIA CORPORATION (US) 2005-02-03 WO disclosed
WO-2005007156-A1 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN ANGIOTENSIN II RECEPTOR ANTAGONIST FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2005-01-27 WO disclosed
WO-2005007106-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A NON-NMDA GLUTAMATE MODULATOR FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2005-01-27 WO disclosed
WO-2004093816-A2 COMPOSITIONS COMPRISING A SELECTIVE COX-2 INHIBITOR AND A CALCIUM MODULATING AGENT PHARMACIA CORPORATION (US) 2004-11-04 WO disclosed
WO-2004093814-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SODIUM CHANNEL BLOCKER PHARMACIA CORPORATION (US) 2004-11-04 WO disclosed