SCHEMBL27587261

SCHEMBL27587261

O=[SH](=O)Cc1ccc(-c2ccccc2-c2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.47
PTGS1 P23219 2/20 0.47
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CASP3 P42574 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
HTR2C P28335 1/20 0.37
MAPT P10636 2/20 0.37
C3AR1 Q16581 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
MAOB P27338 1/20 0.36
NR4A2 P43354 1/20 0.36
MAPK14 Q16539 1/20 0.36
HTR7 P34969 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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 0.84 IDO1 (0.46) LMNAMAOBKMT2A
SCHEMBL27496458 0.82 PTGS2 (0.50) PTGS2PTGS1ALDH1A1LMNAMAOB
SCHEMBL27475892 0.82 ESR1 (0.38) PTGS2PTGS1ALDH1A1LMNAMAPT
SCHEMBL27459333 0.78 MAPK1 (0.52) FFAR1FFAR4ALDH1A1MAPTCA1
SCHEMBL27472788 0.77 PTGS1 (0.72) PTGS2PTGS1MAPK14
SCHEMBL28751578 0.76 PTGS2 (0.56) PTGS2PTGS1CA12CA1CA9
SCHEMBL27850508 0.76 TAAR1 (0.50) PTGS1SLC6A4FFAR1ALDH1A1LMNA
SCHEMBL19953393 0.75 MAPK14 (0.51) PTGS2PTGS1MAOBMAPK14
SCHEMBL28181881 0.75 CA12 (0.49) CA12CA1CA9
SCHEMBL27458076 0.73 PTGS2 (0.49) PTGS2PTGS1FFAR1ALDH1A1LMNA

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 13 patents. 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-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-109906082-A Use the combined therapy of immune DASH inhibitor and PGE2 antagonist 塔夫茨大学信托人 2019-06-18 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-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-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