SCHEMBL5694188

SCHEMBL5694188

Cc1onc(-c2ccccc2)c1-c1ccc(S)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.80
PTGS1 P23219 10/20 0.80
MT-CO2 P00403 3/20 0.62
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
LMNA P02545 1/20 0.62
CA3 P07451 1/20 0.62
ADRB2 P07550 1/20 0.62
ADRB1 P08588 1/20 0.62
CYP3A4 P08684 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
CHRM1 P11229 1/20 0.62
ADRA2B P18089 1/20 0.62
CA4 P22748 1/20 0.62
CA6 P23280 1/20 0.62
SLC6A2 P23975 1/20 0.62
PDE4A P27815 1/20 0.62
ADORA1 P30542 1/20 0.62
CA5A P35218 1/20 0.62

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
SCHEMBL2277199 0.89 PTGS2 (1.00) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL25149515 0.86 PTGS2 (0.86) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL4587731 0.83 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL4586525 0.83 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL28298821 0.83 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL14562098 0.83 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL5427092 0.83 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6251637 0.83 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL5428698 0.83 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6168295 0.81 PTGS2 (0.75) PTGS2PTGS1MT-CO2CA12CA1

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
EP-1140192-A2 USE OF A CYCLOOXYGENASE-2 INHIBITOR AND ONE OR MORE ANTINEOPLASTIC AGENTS FOR COMBINATION THERAPY IN NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
WO-2000038730-A2 USE OF A CYCLOOXYGENASE-2 INHIBITOR AND ONE OR MORE ANTINEOPLASTIC AGENTS FOR COMBINATION THERAPY IN NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
CN-112028851-B Parecoxib sodium intermediate compound 鲁南制药集团股份有限公司 2023-05-02 CN disclosed
CN-112028850-B Intermediate compound of parecoxib sodium 鲁南制药集团股份有限公司 2023-05-02 CN disclosed
CN-112028850-A Intermediate compound of parecoxib sodium 鲁南制药集团股份有限公司 2020-12-04 CN disclosed
CN-112028851-A Parecoxib sodium intermediate compound 鲁南制药集团股份有限公司 2020-12-04 CN disclosed
EP-0927555-B1 Use of cyclooxygenase-2 inhibitors for the treatment and prevention of tumours, tumour-related disorders and cachexia DAIICHI SANKYO CO LTD (JP) 2011-10-05 EP disclosed
EP-1682143-A2 COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA Pharmacia Corporation (US) 2006-07-26 EP disclosed
EP-1653967-A2 COMBINATION OF A COX-2 INHIBITOR AND AN ALKYLATING-TYPE ANTINEOPLASTIC AGENT FOR TREATMENT OF NEOPLASIA Pharmacia Corporation (US) 2006-05-10 EP disclosed
EP-1653940-A1 THERAPEUTIC COMBINATION OF A COX-2 INHIBITOR AND AN AROMATASE INHIBITOR Pharmacia Corporation (US) 2006-05-10 EP disclosed
WO-2005044194-A2 TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR PHARMACIA CORPORATION (US) 2005-05-19 WO disclosed
WO-2005041879-A2 COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA PHARMACIA CORPORATION (US) 2005-05-12 WO disclosed
WO-2004093856-A2 COMBINATION OF A COX-2 INHIBITOR AND AN ALKYLATING-TYPE ANTINEOPLASTIC AGENT FOR TREATMENT OF NEOPLASIA PHARMACIA CORPORATION (US) 2004-11-04 WO disclosed
WO-2004093868-A1 THERAPEUTIC COMBINATION OF A COX-2 INHIBITOR AND AN AROMATASE INHIBITOR PHARMACIA CORPORATION (US) 2004-11-04 WO disclosed
EP-1140194-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINED TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP disclosed
EP-1140192-A2 USE OF A CYCLOOXYGENASE-2 INHIBITOR AND ONE OR MORE ANTINEOPLASTIC AGENTS FOR COMBINATION THERAPY IN NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP disclosed
EP-1140179-A2 USE OF A CYCLOOXYGENASE 2 INHIBITOR AND AN INTEGRIN ANTAGONIST AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP disclosed
WO-2000038730-A2 USE OF A CYCLOOXYGENASE-2 INHIBITOR AND ONE OR MORE ANTINEOPLASTIC AGENTS FOR COMBINATION THERAPY IN NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000038786-A2 USE OF CYCLOOXYGENASE 2 INHIBITOR AND AN INTEGRIN ANTAGONIST AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000037107-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINATION TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-06-29 WO disclosed