SCHEMBL8101285

SCHEMBL8101285

O=C(O)CNS(=O)(=O)CCOCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 6/20 0.61
MMP8 P22894 5/20 0.61
MMP13 P45452 5/20 0.61
MMP1 P03956 2/20 0.55
MMP7 P09237 1/20 0.55
CASP1 P29466 2/20 0.46
ABCB11 O95342 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL8657587 0.87 MMP8 (0.51) MMP12MMP8MMP13MMP1MMP7
SCHEMBL4170793 0.84 MMP12 (0.82) MMP12MMP8MMP13MMP1MMP7
SCHEMBL8101293 0.80 L3MBTL1 (0.49) MMP12MMP8MMP13MMP1MMP7
SCHEMBL27373395 0.78 HDAC3 (0.47) MMP12MMP8MMP13MMP1MMP7
SCHEMBL8104304 0.77 ALDH1A1 (0.44) MMP12MMP8MMP13MMP1MMP7
SCHEMBL8653921 0.77 MMP1 (0.40) MMP12MMP8MMP13MMP1MMP7
SCHEMBL8095873 0.76 MEN1 (0.45) MMP12MMP8MMP13MMP1MMP7
SCHEMBL24486785 0.76 CA2 (0.50) L3MBTL1CA1CA2CA9GAA
SCHEMBL8532428 0.76 KEAP1 (0.50) MMP12MMP13CA1CA2CA9
SCHEMBL5281032 0.76 MMP8 (0.62) MMP12MMP8MMP13MMP1MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5846989-A Benzothiazolone derivatives ASTRA PHARMACEUTICALS LIMITED (GB) 1998-12-08 US disclosed