SCHEMBL8101293

SCHEMBL8101293

O=C(O)CCS(=O)(=O)NCCOCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
MMP8 P22894 2/20 0.46
MMP12 P39900 2/20 0.46
MMP13 P45452 2/20 0.46
MMP1 P03956 1/20 0.46
MMP7 P09237 1/20 0.46
KEAP1 Q14145 1/20 0.45
FFAR1 O14842 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ABCB11 O95342 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
HDAC3 O15379 1/20 0.42

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
SCHEMBL27373395 0.92 HDAC3 (0.47) L3MBTL1ALDH1A1MAPTMMP8MMP12
SCHEMBL8129039 0.88 CA12 (0.56) L3MBTL1ALDH1A1MMP8MMP12MMP13
SCHEMBL27530961 0.85 HDAC3 (0.50) L3MBTL1ALDH1A1MAPTMMP8MMP12
SCHEMBL8101285 0.80 MMP12 (0.61) L3MBTL1MMP8MMP12MMP13MMP1
SCHEMBL8532428 0.80 KEAP1 (0.50) ALDH1A1MAPTMMP12MMP13KEAP1
SCHEMBL3207695 0.79 MMP8 (0.60) L3MBTL1ALDH1A1MAPTMMP8MMP12
SCHEMBL3584403 0.77 KEAP1 (0.63) ALDH1A1MAPTKEAP1FFAR1SMN1; SMN2
SCHEMBL8088959 0.76 ALDH1A1 (0.46) L3MBTL1ALDH1A1CA12CA7CA9
SCHEMBL8096816 0.76 ALDH1A1 (0.45) ALDH1A1CA12CA7CA9CA14
SCHEMBL8088373 0.76 CA12 (0.52) ALDH1A1MMP8MMP12MMP13CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1356323-A Benzothiazolone derivative ASTRAZENECA AB (SE) 2002-07-03 CN disclosed
CN-1073098-C Benzothiazolone derivatives ASTRA ZENICA LTD (SE) 2001-10-17 CN disclosed
US-6080869-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LIMITED (GB) 2000-06-27 US disclosed
EP-0850232-B1 BENZOTHIAZOLONE DERIVATIVES ASTRA PHARMA PROD (GB) 2000-03-15 EP disclosed
US-6008365-A ADRENORECEPTOR AGONISTS AND DOPAMINE DA2-RECEPTOR AGONISTS, USEFUL IN THE TREATMENT OF OBSTRUCTIVE AIRWAY DISEASES ASTRA PHARMACEUTICALS LTD. (GB) 1999-12-28 US disclosed
US-5977384-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LTD. (GB) 1999-11-02 US disclosed
US-5973167-A Intermediates for making benzothiazolone derivatives ASTRA PHARMACEUTICALS LTD. (GB) 1999-10-26 US disclosed
CN-1202163-A Benzothiazolone derivatives ASTRA PHARMA PROD (GB) 1998-12-16 CN disclosed
US-5846989-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LIMITED (GB) 1998-12-08 US disclosed