SCHEMBL8287014

SCHEMBL8287014

O=C1C(c2ccccc2)=C(c2ccc(CS(=O)O)cc2)CN1c1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 13/20 0.61
PTGS2 P35354 13/20 0.61
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX7 Q99572 1/20 0.34
PTGER4 P35408 1/20 0.33

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
SCHEMBL8289163 0.94 PTGS1 (0.62) PTGS1PTGS2MEN1KMT2AP2RX7
SCHEMBL8289159 0.85 PTGS1 (0.57) PTGS1PTGS2
SCHEMBL8287004 0.84 PTGS1 (0.61) PTGS1PTGS2
SCHEMBL14516613 0.84 PTGS1 (0.76) PTGS1PTGS2MEN1KMT2A
SCHEMBL8289162 0.83 PTGS1 (0.60) PTGS1PTGS2P2RX7
SCHEMBL14516172 0.82 PTGS1 (0.76) PTGS1PTGS2MEN1KMT2A
SCHEMBL8291653 0.81 PTGS1 (0.62) PTGS1PTGS2P2RX7
SCHEMBL8287005 0.80 PTGS1 (0.62) PTGS1PTGS2PTGER4
SCHEMBL14497476 0.80 PTGS1 (0.74) PTGS1PTGS2MEN1KMT2A
SCHEMBL8289164 0.80 PTGS1 (0.63) 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 10 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-2005018563-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A PHOSPHODIESTERASE INHIBITOR FOR THE TREATMENT OF ISCHEMIC MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
WO-2005018541-A2 COX-2 INHIBITOR AND SEROTONIN MODULATOR FOR TREATING CNS DAMAGE PHARMACIA CORPORATION (US) 2005-03-03 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-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-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
WO-2004093811-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SODIUM ION CHANNEL BLOCKER FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2004-11-04 WO disclosed
WO-2004093813-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CALCIUM MODULATING AGENT FOR THE TREATMENT OF PAIN, INFLAMMATION OR INFLAMMATION MEDIATED DISORDERS PHARMACIA CORPORATION (US) 2004-11-04 WO disclosed