SCHEMBL11039626

SCHEMBL11039626

CN1C(C(=O)Nc2ccccn2)=C(OS(C)(=O)=O)c2ccccc2S1(=O)=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.70
PTGS2 P35354 4/20 0.70
KDM4E B2RXH2 3/20 0.70
USP2 O75604 3/20 0.70
CYP2C9 P11712 3/20 0.70
CYP1A2 P05177 2/20 0.70
CYP3A4 P08684 2/20 0.70
CYP2D6 P10635 2/20 0.70
ALOX15 P16050 1/20 0.70
NFKB1 P19838 1/20 0.70
CYP2C19 P33261 1/20 0.70
BLM P54132 1/20 0.70
SLC22A6 Q4U2R8 1/20 0.70
SLC22A8 Q8TCC7 1/20 0.70
MAPK1 P28482 1/20 0.69
HTR1A P08908 1/20 0.65
LMNA P02545 3/20 0.61
HTR2B P41595 1/20 0.61
GAA P10253 1/20 0.54
ABCB11 O95342 2/20 0.52

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
SCHEMBL11227417 0.90 PTGS1 (0.67) PTGS1PTGS2KDM4EUSP2CYP2C9
SCHEMBL30961657 0.87 PTGS1 (0.76) PTGS1PTGS2KDM4EUSP2CYP2C9
SCHEMBL11037931 0.86 PTGS1 (0.51) PTGS1PTGS2KDM4EUSP2CYP2C9
SCHEMBL11223009 0.86 PTGS1 (0.62) PTGS1PTGS2KDM4EUSP2CYP2C9
Piroxicam SCHEMBL28977952 0.85 PTGS1 (0.91) PTGS1PTGS2KDM4EUSP2CYP2C9
SCHEMBL11037232 0.85 PTGS1 (0.72) PTGS1PTGS2KDM4EUSP2CYP2C9
SCHEMBL29649194 0.84 PTGS1 (0.71) PTGS1PTGS2KDM4EUSP2CYP2C9
SCHEMBL1477443 0.84 PTGS1 (0.71) PTGS1PTGS2KDM4EUSP2CYP2C9
SCHEMBL1667626 0.84 LMNA (0.73) PTGS1PTGS2KDM4EUSP2CYP2C9
SCHEMBL11222276 0.84 PTGS1 (0.60) PTGS1PTGS2KDM4EUSP2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0057059-B1 BENZOTHIAZINE DIOXIDE ANTI-INFLAMMATORY AGENTS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER INC. (US) 1984-03-07 EP claimed
EP-0057059-A1 Benzothiazine dioxide anti-inflammatory agents, processes for their preparation, and pharmaceutical compositions containing them PFIZER INC. (US) 1982-08-04 EP claimed
US-4309427-A ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1982-01-05 US claimed
EP-0057059-B1 BENZOTHIAZINE DIOXIDE ANTI-INFLAMMATORY AGENTS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER INC. (US) 1984-03-07 EP disclosed
EP-0057059-A1 Benzothiazine dioxide anti-inflammatory agents, processes for their preparation, and pharmaceutical compositions containing them PFIZER INC. (US) 1982-08-04 EP disclosed
US-4309427-A ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1982-01-05 US disclosed
US-4309427-A ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1982-01-05 US disclosed