SCHEMBL5407206

SCHEMBL5407206

CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)O)c3ccccc3)cc2S(=O)(=O)N1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.80
SLC10A2 Q12908 12/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.33
ATM Q13315 2/20 0.32

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
SCHEMBL5793707 1.00 NR1H4 (0.80) NR1H4SLC10A2KMT2AMEN1POLB
SCHEMBL919911 0.96 NR1H4 (0.87) NR1H4SLC10A2KMT2AMEN1POLB
SCHEMBL15163626 0.96 NR1H4 (0.87) NR1H4SLC10A2KMT2AMEN1POLB
SCHEMBL5742076 0.94 NR1H4 (0.84) NR1H4SLC10A2KMT2AMEN1ATM
SCHEMBL5742073 0.93 NR1H4 (0.77) NR1H4SLC10A2KMT2AMEN1ATM
SCHEMBL919592 0.93 NR1H4 (0.81) NR1H4SLC10A2
SCHEMBL19034754 0.93 NR1H4 (0.81) NR1H4SLC10A2
SCHEMBL19046549 0.93 NR1H4 (0.93) NR1H4SLC10A2
SCHEMBL918882 0.93 NR1H4 (0.93) NR1H4SLC10A2
SCHEMBL4566711 0.93 NR1H4 (0.93) NR1H4SLC10A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427423-B9 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2017-12-20 EP disclosed
EP-1501813-B1 Benzothiadiazepine derivatives, processes for their preparation and pharmaceutical compositions containing them ALBIREO AB (SE) 2013-08-14 EP disclosed
US-7238684-B2 Benzothiadiazepine derivatives, processes for their preparation and pharmaceutical compositions containing them ASTRAZENECA AB (SE) 2007-07-03 US disclosed
EP-1427423-B1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2006-12-27 EP disclosed
US-7132416-B2 Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (IBAT) inhibotory activity for the treatment hyperlipidaemia ASTRAZENECA AB (SE) 2006-11-07 US disclosed
WO-2006031782-A2 SALVINORIN DERIVATIVES AS OPIOID RECEPTOR LIGANDS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2006-03-23 WO disclosed
US-20050143368-A1 Chemical compounds ALBIREO AB (SE) 2005-06-30 US disclosed
US-20050038009-A1 Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (ibat) inhibitory activity for the treatment hyperlipidaemia ALBIREO AB (SE) 2005-02-17 US disclosed
EP-1501813-A2 BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astrazeneca AB (SE) 2005-02-02 EP disclosed
EP-1427423-A1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA AstraZeneca AB (SE) 2004-06-16 EP disclosed
WO-2003091232-A2 BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2003-11-06 WO disclosed
WO-2003022286-A1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2003-03-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050038009-A1 Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (ibat) inhibitory activity for the treatment hyperlipidaemia SLC10A2, SLC10A1, ABCB11 NR1H4 4/4885SLC10A2 1/4885KMT2A 1598/4885
US-20050143368-A1 Chemical compounds SLC10A2, SLC10A1, ABCB11 NR1H4 4/4885SLC10A2 1/4885KMT2A 2828/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.