SCHEMBL8025864

SCHEMBL8025864

CCC1(CC)CS(=O)(=O)c2ccccc2N(c2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.48
ELANE P08246 6/20 0.45
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
SLC6A4 P31645 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL8026030 0.90 SLC6A2 (0.51) SLC6A2ELANESLC6A4
SCHEMBL8014417 0.82 ALDH1A1 (0.44) SLC6A2ELANEALDH1A1SMN1; SMN2CYP1A2
SCHEMBL8026584 0.78 LMNA (0.34) SLC6A2ELANELMNA
SCHEMBL11434205 0.71 SLC6A2 (0.49) SLC6A2ELANEALDH1A1CYP1A2CYP3A4
SCHEMBL8028411 0.71 TMEM97 (0.39) SLC6A2ELANEALDH1A1SMN1; SMN2LMNA
SCHEMBL8024775 0.71 SLC6A2 (0.49) SLC6A2ELANEALDH1A1CYP1A2CYP3A4
SCHEMBL5214736 0.67 SLC6A2 (0.75) SLC6A2ELANEALDH1A1SLC6A4HPGD
SCHEMBL8014427 0.66 SLC6A2 (0.52) SLC6A2ELANEALDH1A1SMN1; SMN2SLC6A4
SCHEMBL8024294 0.66 SLC10A2 (0.42) SLC6A2ELANELMNA
SCHEMBL8014440 0.66 TMEM97 (0.39) SLC6A2ALDH1A1SMN1; SMN2

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
EP-0792268-B1 HYPOLIPIDEMIC BENZOTHIAZEPINES WELLCOME FOUND (GB) 2000-02-23 EP claimed
US-5998400-A Hypolipidemic benzothiazepines GLAXO WELLCOME INC. (US) 1999-12-07 US claimed
WO-1996016051-A1 HYPOLIPIDEMIC BENZOTHIAZEPINES THE WELLCOME FOUNDATION LIMITED (GB) 1996-05-30 WO claimed
EP-0792268-B1 HYPOLIPIDEMIC BENZOTHIAZEPINES WELLCOME FOUND (GB) 2000-02-23 EP disclosed
EP-0971744-A2 COMBINATION THERAPY EMPLOYING ILEAL BILE ACID TRANSPORT INHIBITING BENZOTHIEPINES AND HMG Co-A REDUCTASE INHIBITORS G.D. SEARLE & CO. (US) 2000-01-19 EP disclosed
US-5998400-A Hypolipidemic benzothiazepines GLAXO WELLCOME INC. (US) 1999-12-07 US disclosed
WO-1998040375-A2 COMBINATION OF ILEAL BILE ACID TRANSPORT INHIBITING BENZOTHIEPINES AND HMG Co-A REDUCTASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-17 WO disclosed
EP-0792268-A1 HYPOLIPIDEMIC BENZOTHIAZEPINES THE WELLCOME FOUNDATION LIMITED (GB) 1997-09-03 EP disclosed
WO-1996016051-A1 HYPOLIPIDEMIC BENZOTHIAZEPINES THE WELLCOME FOUNDATION LIMITED (GB) 1996-05-30 WO disclosed