SCHEMBL7842839

SCHEMBL7842839

COc1c(Cl)cc(-c2nc(-c3ccccc3Cl)sc2-c2ccccc2S(C)(=O)=O)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.54
PTGS1 P23219 2/20 0.48
HSD11B1 P28845 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDGFRB P09619 1/20 0.39
PTK2 Q05397 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7844725 0.92 PTGS2 (0.54) PTGS2PTGS1HSD11B1L3MBTL1PDGFRB
SCHEMBL7844796 0.91 PTGS2 (0.56) PTGS2PTGS1HSD11B1L3MBTL1PDGFRB
SCHEMBL7842701 0.88 PTGS2 (0.59) PTGS2PTGS1HSD11B1L3MBTL1ALDH1A1
SCHEMBL7842837 0.86 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL7842211 0.86 PTGS2 (0.64) PTGS2PTGS1HSD11B1L3MBTL1KDM4E
SCHEMBL7844755 0.85 PTGS2 (0.72) PTGS2PTGS1HSD11B1L3MBTL1KDM4E
SCHEMBL7844723 0.84 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL7843832 0.84 PTGS2 (0.59) PTGS2PTGS1HSD11B1L3MBTL1KDM4E
SCHEMBL7842503 0.84 PTGS2 (0.58) PTGS2PTGS1HSD11B1L3MBTL1KDM4E
SCHEMBL7845047 0.83 PTGS2 (0.66) PTGS2PTGS1HSD11B1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed