SCHEMBL5723604

SCHEMBL5723604

CS(=O)(=O)c1ccc(-c2cc3c(cc2Cc2ccccc2F)OCO3)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.72
PTGS1 P23219 5/20 0.72

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
SCHEMBL6587909 0.86 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL5723554 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5723498 0.82 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL6724346 0.82 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL5723507 0.81 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL6591228 0.81 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL5723641 0.80 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5727670 0.78 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL6726405 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5723718 0.78 PTGS2 (0.69) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406609-B1 SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2006-09-06 EP claimed
US-20050059665-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. (US) 2005-03-17 US claimed
EP-1406609-A4 SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2004-04-14 EP claimed
EP-1406609-A2 SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2004-04-14 EP claimed
US-6706724-B2 ANTITUMOR AGENTS; ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIPYRETIC AGENT NITROMED, INC. 2004-03-16 US claimed
US-20020119977-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use related applications NICOX S.A. (FR) 2002-08-29 US claimed
WO-2002060378-A2 SUBSTITUTED ARYL COMPOUNDS AS CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2002-08-08 WO claimed
EP-1406609-B1 SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2006-09-06 EP disclosed
US-20050059665-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. (US) 2005-03-17 US disclosed
US-6825185-B2 IMPROVING THE CARDIOVASCULAR PROFILE OF A COX-2 SELECTIVE INHIBITOR BY ADMINISTERING WITH 3-HYDROXY-3- METHYLGLUTARYL COENZYME A, AN ANTIPLATELET AGENT, A THROMBIN INHIBITOR OR A THROMBOXANE INHIBITOR NITROMED, INC. 2004-11-30 US disclosed
US-20040116431-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. (US) 2004-06-17 US disclosed
EP-1406609-A4 SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2004-04-14 EP disclosed
EP-1406609-A2 SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2004-04-14 EP disclosed
US-6706724-B2 ANTITUMOR AGENTS; ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIPYRETIC AGENT NITROMED, INC. 2004-03-16 US disclosed
US-20020119977-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use related applications NICOX S.A. (FR) 2002-08-29 US disclosed
WO-2002060378-A2 SUBSTITUTED ARYL COMPOUNDS AS CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2002-08-08 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 (2 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-20050059665-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use PTGES, PTGER4, PTGS1 PTGS2 4/4885PTGS1 3/4885
US-20020119977-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use related applications PTGS2, PTGES2, PTGES PTGS2 1/4885PTGS1 6/4885

“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.