SCHEMBL5453924

SCHEMBL5453924

CCOc1ccc(C#CC(=O)OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 18/20 0.55
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL11544791 0.86 ALDH1A1 (0.53) ACACBALDH1A1NPC1
SCHEMBL17845127 0.84 APP (0.57) ACACBNPC1
SCHEMBL27914449 0.82 FFAR1 (0.56) ACACBALDH1A1NPC1
SCHEMBL15184913 0.81 PARP10 (0.58) ACACBALDH1A1NPC1
SCHEMBL16367839 0.81 ACACB (0.49) ACACBALDH1A1NPC1
SCHEMBL27964813 0.80 NPC1 (0.54) ALDH1A1NPC1
SCHEMBL9202331 0.80 FFAR1 (0.62) ALDH1A1NPC1
SCHEMBL6834747 0.78 APP (0.52) ALDH1A1NPC1
SCHEMBL11902648 0.78 GABRP (0.49) ACACBALDH1A1NPC1
SCHEMBL852558 0.78 APP (0.51) ACACBALDH1A1NPC1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453004-B2 Formylated xanthocillin analogues as neuroprotective agents NEURON BIOPHARMA, S.A. (ES) 2016-09-27 US disclosed
US-20150011621-A1 FORMYLATED XANTHOCILLIN ANALOGUES AS NEUROPROTECTIVE AGENTS NEURON BIOPHARMA, S.A. (ES) 2015-01-08 US disclosed
WO-2013117789-A2 FORMULATED XANTHOXYLINE ANALOGUES AS NEUROPROTECTORS NEURON BIOPHARMA, S.A. (ES) 2013-08-15 WO disclosed
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-1687001-A2 USE OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS FOR THE TREATMENT OF SCHIZOPHRENIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-08-09 EP disclosed
EP-1510519-B1 Pharmaceutical compositions comprising 2,3-diarylpyrazolo[1,5-B]pyridazine derivatives GLAXO GROUP LTD (GB) 2006-02-15 EP disclosed
WO-2005049034-A2 USE OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS FOR THE TREATMENT OF SCHIZOPHRENIC DISORDERS GLAXO GROUP LIMITED (GB) 2005-06-02 WO disclosed
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 disclosed
EP-1510519-A1 Pharmaceutical compositions comprising 2,3-diarylpyrazolo[1,5-B]pyridazine derivatives GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
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 disclosed
US-6831097-B2 For therapy of pain, fever, inflammation of a variety of conditions and diseases SMITHKLINE BEECHAM CORPORATION 2004-12-14 US disclosed
EP-1369421-B1 Pharmaceutical compositions comprising 2,3-Diaryl-pyrazolo[1,5-B]pyridazine derivatives GLAXO GROUP LTD (GB) 2004-11-03 EP disclosed
EP-1369421-A1 Pharmaceutical compositions comprising 2,3-Diaryl-pyrazolo[1,5-B]pyridazine derivatives GLAXO GROUP LIMITED (GB) 2003-12-10 EP disclosed
EP-1032575-B1 2,3-DIARYL-PYRAZOLO(1,5-B)PYRIDAZINES DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS GLAXO GROUP LTD (GB) 2003-07-23 EP disclosed
US-20030040517-A1 2,3-Diaryl-pyrazolo[1,5-b]pyridazines derivatives, their preparation and their use as cyclooxygenase 2 (COX-2) inhibirors SMITHKLINE BEECHAM CORPORATION 2003-02-27 US disclosed
US-20030008872-A1 2,3-Diaryl-pyrazolo[1,5-B]pyridazines derivatives, their preparation and their use as cyclooxygenase 2 (COX-2) inhibitors BESWICK PAUL JOHN (GB) 2003-01-09 US 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 (6 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 ACACB 784/4885ALDH1A1 396/4885NPC1 3775/4885
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 ACACB 1378/4885ALDH1A1 983/4885NPC1 776/4885
US-20030008872-A1 2,3-Diaryl-pyrazolo[1,5-B]pyridazines derivatives, their preparation and their use as cyclooxygenase 2 (COX-2) inhibitors PTGS1, CBR1, PTGER1 ACACB 1083/4885ALDH1A1 645/4885NPC1 399/4885
US-20030040517-A1 2,3-Diaryl-pyrazolo[1,5-b]pyridazines derivatives, their preparation and their use as cyclooxygenase 2 (COX-2) inhibirors CBR1, CRHR1, CRHR2 ACACB 1166/4885ALDH1A1 1038/4885NPC1 1073/4885
US-20150011621-A1 FORMYLATED XANTHOCILLIN ANALOGUES AS NEUROPROTECTIVE AGENTS FPR1, FPR2, FPR3 ACACB 4072/4885ALDH1A1 4607/4885NPC1 2951/4885
US-20070142411-A1 Use of cyclooxygenase-2 selective inhibitors for the treatment of schizophrenic disorders PTGES2, PTGER2, PTGDR2 ACACB 2262/4885ALDH1A1 112/4885NPC1 3858/4885

“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.