SCHEMBL19953393

SCHEMBL19953393

O=[SH](=O)Cc1ccc(C2=C(c3ccc(F)cc3)CCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.51
PTGS2 P35354 11/20 0.50
PTGS1 P23219 3/20 0.50
HTT P42858 1/20 0.40
NR3C2 P08235 1/20 0.39
HSD17B10 Q99714 1/20 0.36
MAOB P27338 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL14198825 0.81 IDO1 (0.46) MAOB
SCHEMBL20529938 0.79 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8442546 0.73 MAPK14 (0.49) MAPK14PTGS2PTGS1HTTNR3C2
SCHEMBL20529853 0.72 PTGS1 (0.54) PTGS2PTGS1MAOB
SCHEMBL21113587 0.71 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL8389316 0.71 MAPK14 (0.64) MAPK14PTGS2PTGS1HTTNR3C2
SCHEMBL21113575 0.70 PTGS1 (0.38) PTGS2PTGS1MAOB
SCHEMBL5694270 0.70 MAPK14 (0.62) MAPK14PTGS2PTGS1HTTNR3C2
SCHEMBL8266062 0.70 MAPK14 (0.62) MAPK14PTGS2PTGS1
SCHEMBL28997882 0.69 ALDH1A1 (0.31)

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
CN-1767835-A Compositions comprising cyclooxygenase-2 selective inhibitors and glucosamine for the treatment and prevention of pain and inflammation PHARMACIA CORP (US) 2006-05-03 CN claimed
CN-1241567-C Synergistic analgestic combination of opioid analgsic and cyclooxygenase-2 EURO CELTIQUE SA (LU) 2006-02-15 CN claimed
CN-1697654-A Use of COx-2 inhibitors in combination with antiviral agents for the treatment of papilloma virus infections UPJOHN CO (US) 2005-11-16 CN claimed
CN-1575182-A Compositions for the treatment and prevention of pain and inflammation with a cyclooxygenase-2 selective inhibitor and chondroitin sulfate PHARMACIA CORP (US) 2005-02-02 CN claimed
CN-1561246-A Compositions of cyclooxygenase-2 selective inhibitors and radiation for inhibition or prevention of cardiovascular disease PHARMACIA CORP (US) 2005-01-05 CN claimed
CN-1527709-A Therapeutic combination for cardiovascular and inflammatory indications 2004-09-08 CN claimed
CN-1371286-A Use of cyclooxygenase-2 inhibitor matrix metallappoteinase inhibitor antineoplastic agent and optionally radiation as combination treatment of neoplasia SEARLE & CO (US) 2002-09-25 CN claimed
CN-1346282-A Use of a cyclooxygenase-2 inhibitor and one or more antineoplastic agents as combination therapy method in treating neoplasia SEARLE & CO (US) 2002-04-24 CN claimed
EP-3509604-A1 COMBINATION THERAPIES USING IMMUNO-DASH INHIBITORS AND PGE2 ANTAGONISTS Trustees of Tufts College (US) 2019-07-17 EP disclosed
WO-2018049027-A1 COMBINATION THERAPIES USING IMMUNO-DASH INHIBITORS AND PGE2 ANTAGONISTS TRUSTEES OF TUFTS COLLEGE (US) 2018-03-15 WO disclosed
CN-100372539-C Pharmaceutical composition comprising a combination of a bisphosphonate, a COX-2 inhibitor and paclitaxel for the treatment of malignancies NOVARTIS AG (CH) 2008-03-05 CN disclosed
CN-1771034-A Combinations of peroxisome proliferators-activated receptor-alpha agonists and cyclooxygenase-2 selective inhibitors and therapeutic uses therefor PHARMACIA CORP (US) 2006-05-10 CN disclosed
CN-1767835-A Compositions comprising cyclooxygenase-2 selective inhibitors and glucosamine for the treatment and prevention of pain and inflammation PHARMACIA CORP (US) 2006-05-03 CN disclosed
CN-1241567-C Synergistic analgestic combination of opioid analgsic and cyclooxygenase-2 EURO CELTIQUE SA (LU) 2006-02-15 CN disclosed
CN-1697654-A Use of COx-2 inhibitors in combination with antiviral agents for the treatment of papilloma virus infections UPJOHN CO (US) 2005-11-16 CN disclosed
CN-1642544-A Compositions and methods of treatment involving peroxisome proliferator-activated receptor-gamma agonists and cyclooxygenase-2 selective inhibitors PHARMACIA CORP (US) 2005-07-20 CN disclosed
CN-1638760-A Treatment of pain, inflammation, and inflammation-related disorders with a combination of a cyclooxygenase-2 selective inhibitor and aspirin PHARMACIA CORP (US) 2005-07-13 CN disclosed
CN-1638759-A Pharmaceutical composition comprising a bisphosphonate and a COX-2 inhibitor for the treatment of bone diseases NOVARTIS AG (CH) 2005-07-13 CN disclosed
CN-1575182-A Compositions for the treatment and prevention of pain and inflammation with a cyclooxygenase-2 selective inhibitor and chondroitin sulfate PHARMACIA CORP (US) 2005-02-02 CN disclosed
CN-1561246-A Compositions of cyclooxygenase-2 selective inhibitors and radiation for inhibition or prevention of cardiovascular disease PHARMACIA CORP (US) 2005-01-05 CN disclosed