SCHEMBL8287004

SCHEMBL8287004

O=C1C(c2ccccc2)=C(c2ccc(CS(=O)O)cc2)CN1c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 17/20 0.61
PTGS2 P35354 16/20 0.61
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL8289162 0.97 PTGS1 (0.60) PTGS1PTGS2
SCHEMBL8289159 0.92 PTGS1 (0.57) PTGS1PTGS2
SCHEMBL8286999 0.91 PTGS2 (0.50) PTGS1PTGS2
SCHEMBL8289149 0.90 PTGS1 (0.63) PTGS1PTGS2
SCHEMBL8287005 0.89 PTGS1 (0.62) PTGS1PTGS2
SCHEMBL8291652 0.88 PTGS1 (0.63) PTGS1PTGS2
SCHEMBL8289164 0.88 PTGS1 (0.63) PTGS1PTGS2
SCHEMBL8287007 0.87 PTGS1 (0.65) PTGS1PTGS2
SCHEMBL14516617 0.86 PTGS1 (0.66) PTGS1PTGS2CHRM5CHRM1
SCHEMBL8289163 0.86 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 9 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-2005018541-A2 COX-2 INHIBITOR AND SEROTONIN MODULATOR FOR TREATING CNS DAMAGE 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-2004105699-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CANNABINOID AGENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2004-12-09 WO disclosed
WO-2004103286-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CHOLIMERGIC AGENT PHARMACIA CORPORATION (US) 2004-12-02 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