SCHEMBL5458900

SCHEMBL5458900

CCOc1ccc(-c2nn3ncccc3c2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 1.00
PTGS1 P23219 7/20 1.00
CA2 P00918 3/20 0.51
CA1 P00915 2/20 0.51
CA9 Q16790 2/20 0.51
CA12 O43570 1/20 0.51
CA7 P43166 1/20 0.51
ENPP3 O14638 1/20 0.47
MAPT P10636 1/20 0.47

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
Gw-406381 SCHEMBL309320 0.90 PTGS2 (1.00) PTGS2PTGS1
Gw-406381 SCHEMBL7509921 0.89 PTGS2 (0.98) PTGS2PTGS1
SCHEMBL4511717 0.82 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL5368778 0.79 PTGS2 (0.67) PTGS2PTGS1CA2CA1CA9
SCHEMBL5446848 0.78 PTGS1 (1.00) PTGS2PTGS1
SCHEMBL6591824 0.76 PTGS2 (0.63) PTGS2PTGS1CA2CA1CA9
SCHEMBL5448917 0.76 PTGS2 (0.61) PTGS2PTGS1MAPT
SCHEMBL5447762 0.74 PTGS1 (0.77) PTGS2PTGS1
SCHEMBL5451484 0.74 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5372635 0.73 PTGS2 (0.60) PTGS2PTGS1CA2CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270428-A1 Use of Cyclooxygenase-2 Inhibitors for the Treatment of Depressive Disorders GLAXO GROUP LIMITED (GB) 2007-11-22 US claimed
US-20070142411-A1 Use of cyclooxygenase-2 selective inhibitors for the treatment of schizophrenic disorders GLAXO GROUP LIMITED (GB) 2007-06-21 US claimed
EP-1687000-A2 USE OF CYCLOOXYGENASE-2 INHIBITORS FOR THE TREATMENT OF DEPRESSIVE DISORDERS GLAXO GROUP LIMITED (GB) 2006-08-09 EP claimed
EP-1687001-A2 USE OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS FOR THE TREATMENT OF SCHIZOPHRENIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-08-09 EP claimed
EP-1510519-B1 Pharmaceutical compositions comprising 2,3-diarylpyrazolo[1,5-B]pyridazine derivatives GLAXO GROUP LTD (GB) 2006-02-15 EP claimed
WO-2005048999-A2 USE OF CYCLOOXYGENASE-2 INHIBITORS FOR THE TREATMENT OF DEPRESSIVE DISORDERS GLAXO GROUP LIMITED (GB) 2005-06-02 WO claimed
WO-2005049034-A2 USE OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS FOR THE TREATMENT OF SCHIZOPHRENIC DISORDERS GLAXO GROUP LIMITED (GB) 2005-06-02 WO claimed
US-20050113377-A1 2,3-diaryl-pyrazolo[1,5-b]pyridazines derivatives, their preparation and their use as cyclooxygenase, 2 (COX-2) inhibitors BESWICK PAUL J (GB) 2005-05-26 US claimed
EP-1510519-A1 Pharmaceutical compositions comprising 2,3-diarylpyrazolo[1,5-B]pyridazine derivatives GLAXO GROUP LIMITED (GB) 2005-03-02 EP claimed
US-6861429-B2 2,3-diaryl-pyrazolo[1,5-b]pyridazines derivatives, their preparation and their use as cyclooxygenase 2 (COX-2) inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2005-03-01 US claimed
US-6831097-B2 For therapy of pain, fever, inflammation of a variety of conditions and diseases SMITHKLINE BEECHAM CORPORATION 2004-12-14 US claimed
EP-1369421-B1 Pharmaceutical compositions comprising 2,3-Diaryl-pyrazolo[1,5-B]pyridazine derivatives GLAXO GROUP LTD (GB) 2004-11-03 EP claimed
EP-1369421-A1 Pharmaceutical compositions comprising 2,3-Diaryl-pyrazolo[1,5-B]pyridazine derivatives GLAXO GROUP LIMITED (GB) 2003-12-10 EP claimed
US-6451794-B1 2,3-Diaryl-pyrazolo[1,5-b]pyridazines derivatives, their preparation and their use as cyclooxygenase 2(COX-2) inhibitors SMITHKLINE BEECHAM CORPORATION 2002-09-17 US claimed
US-20070270428-A1 Use of Cyclooxygenase-2 Inhibitors for the Treatment of Depressive Disorders GLAXO GROUP LIMITED (GB) 2007-11-22 US disclosed
US-20070142411-A1 Use of cyclooxygenase-2 selective inhibitors for the treatment of schizophrenic disorders GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
EP-1687000-A2 USE OF CYCLOOXYGENASE-2 INHIBITORS FOR THE TREATMENT OF DEPRESSIVE DISORDERS GLAXO GROUP LIMITED (GB) 2006-08-09 EP disclosed
US-6451794-B1 2,3-Diaryl-pyrazolo[1,5-b]pyridazines derivatives, their preparation and their use as cyclooxygenase 2(COX-2) inhibitors SMITHKLINE BEECHAM CORPORATION 2002-09-17 US disclosed
EP-1032575-A1 2,3-DIARYL-PYRAZOLO(1,5-B)PYRIDAZINES DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS GLAXO GROUP LIMITED (GB) 2000-09-06 EP disclosed
WO-1999012930-A1 2,3-DIARYL-PYRAZOLO[1,5-B]PYRIDAZINES DERIVATIVES, THEIR PREPA RATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS GLAXO GROUP LIMITED (GB) 1999-03-18 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 (3 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-20070270428-A1 Use of Cyclooxygenase-2 Inhibitors for the Treatment of Depressive Disorders TPH2, PTGS2, PTGES2 PTGS2 2/4885PTGS1 13/4885CA2 573/4885
US-20050113377-A1 2,3-diaryl-pyrazolo[1,5-b]pyridazines derivatives, their preparation and their use as cyclooxygenase, 2 (COX-2) inhibitors PTGER1, NCOA1, NCOR2 PTGS2 13/4885PTGS1 4/4885CA2 354/4885
US-20070142411-A1 Use of cyclooxygenase-2 selective inhibitors for the treatment of schizophrenic disorders PTGES2, PTGER2, PTGDR2 PTGS2 5/4885PTGS1 10/4885CA2 1349/4885

“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.