SCHEMBL6044707

SCHEMBL6044707

CS(=O)(=O)Nc1cc2c(cc1Oc1ccc(F)cc1F)C(=O)C=C2

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.64
BRD4 O60885 16/20 0.42
EP300 Q09472 1/20 0.42
PTGS1 P23219 1/20 0.38
MAPK8 P45983 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38

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
Flosulide SCHEMBL195509 0.78 PTGS2 (1.00) PTGS2BRD4PTGS1
Flosulide SCHEMBL29454969 0.78 PTGS2 (1.00) PTGS2BRD4PTGS1
Flosulide SCHEMBL29383035 0.78 PTGS2 (1.00) PTGS2BRD4PTGS1
SCHEMBL16047515 0.78 PTGS2 (0.62) PTGS2BRD4EP300PTGS1MAPK8
SCHEMBL4405855 0.77 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL16045908 0.77 PTGS2 (0.61) PTGS2BRD4EP300PTGS1MAPK8
SCHEMBL10955991 0.76 PTGS2 (0.70) PTGS2BRD4PTGS1
SCHEMBL8524487 0.76 PTGS2 (0.59) PTGS2BRD4EP300PTGS1MAPK8
SCHEMBL10416533 0.75 PTGS2 (0.59) PTGS2BRD4EP300PTGS1MAPK8
SCHEMBL9807189 0.75 PTGS2 (0.64) PTGS2BRD4EP300PTGS1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149591-A1 Compositions of a cyclooxygenase-2 selective inhibitor administered under hypothermic conditions for the treatment of ischemic mediated central nervous system disorders or injury STEPHENSON DIANE T 2007-06-28 US disclosed
US-20070149591-A1 Compositions of a cyclooxygenase-2 selective inhibitor administered under hypothermic conditions for the treatment of ischemic mediated central nervous system disorders or injury STEPHENSON DIANE T 2007-06-28 US disclosed
US-20060135506-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a calcium modulating agent for the treatment of pain, inflammation or inflammation mediated disorders PHARMACIA CORPORATION 2006-06-22 US disclosed
US-20050130971-A1 Compositions of a cyclooxygenase-2 selective inhibitor and phosphodiesterase inhibitor for the treatment of ischemic mediated central nervous system disorders or injury PHARMACIA CORPORATION 2005-06-16 US disclosed
WO-2005046615-A2 COMPOSITIONS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM MEDIATED DISORDERS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-05-26 WO disclosed
US-20050065154-A1 Treatment of migraine accompanied by nausea with a combination of cyclooxygenase-2 selective inhibitors and anti-nausea agents PHARMACIA CORPORATION 2005-03-24 US disclosed
US-20050054646-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an antioxidant agent for the treatment of central nervous system disorders PHARMACIA CORPORATION 2005-03-10 US 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-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-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
WO-2004093816-A2 COMPOSITIONS COMPRISING A SELECTIVE COX-2 INHIBITOR AND A CALCIUM MODULATING AGENT 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
WO-2004060366-A1 A METHOD FOR THE TREATMENT, PREVENTION, OR INHIBITION OF A CNS DISORDER AND/OR PAIN AND INFLAMMATION USING A COMBINATION OF DULOXETINE, VENLAFAXINE OR ATOMOXETINE AND A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND COMPOSITIONS THEREOF PHARMACIA CORPORATION (US) 2004-07-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050054646-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an antioxidant agent for the treatment of central nervous system disorders TXNRD2, PRDX5, PTGS2 PTGS2 3/4885BRD4 3602/4885EP300 3208/4885
US-20060135506-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a calcium modulating agent for the treatment of pain, inflammation or inflammation mediated disorders PTGS2, PTGES2, PTGS1 PTGS2 1/4885BRD4 1438/4885EP300 3419/4885
US-20070149591-A1 Compositions of a cyclooxygenase-2 selective inhibitor administered under hypothermic conditions for the treatment of ischemic mediated central nervous system disorders or injury PTGS2, PTGS1, PTGES2 PTGS2 1/4885BRD4 4194/4885EP300 2639/4885
US-20050130971-A1 Compositions of a cyclooxygenase-2 selective inhibitor and phosphodiesterase inhibitor for the treatment of ischemic mediated central nervous system disorders or injury PDE2A, PDE3B, PDE3A PTGS2 8/4885BRD4 3879/4885EP300 4204/4885
US-20050065154-A1 Treatment of migraine accompanied by nausea with a combination of cyclooxygenase-2 selective inhibitors and anti-nausea agents PTGS2, PTGS1, PTGES2 PTGS2 1/4885BRD4 769/4885EP300 3016/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.