SCHEMBL5744207

SCHEMBL5744207

CCCCC1(CCCC)CN(c2ccccc2)c2cc(C)c(OCC(=O)O)cc2S(=O)(=O)N1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.54
SLC10A2 Q12908 17/20 0.46
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 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
SCHEMBL29728488 1.00 NR1H4 (0.54) NR1H4SLC10A2OPRM1OPRL1PPARG
SCHEMBL23451415 0.91 NR1H4 (0.47) NR1H4SLC10A2OPRM1OPRL1PPARG
SCHEMBL29728490 0.90 NR1H4 (0.53) NR1H4SLC10A2
SCHEMBL5742730 0.90 NR1H4 (0.53) NR1H4SLC10A2
SCHEMBL5421410 0.89 NR1H4 (0.67) NR1H4SLC10A2
SCHEMBL5843738 0.86 NR1H4 (0.64) NR1H4SLC10A2
SCHEMBL23451409 0.85 NR1H4 (0.63) NR1H4SLC10A2
SCHEMBL23451399 0.85 NR1H4 (0.63) NR1H4SLC10A2
SCHEMBL23451401 0.85 NR1H4 (0.63) NR1H4SLC10A2
SCHEMBL5743691 0.84 NR1H4 (0.51) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114761018-A Benzothiadiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2022-07-15 CN claimed
US-11225466-B2 Benzothiadiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2022-01-18 US claimed
US-20210171483-A1 BENZOTHIADIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 US claimed
WO-2021110885-A1 BENZOTHIADIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 WO claimed
CN-114761018-A Benzothiadiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2022-07-15 CN disclosed
US-11225466-B2 Benzothiadiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2022-01-18 US disclosed
US-20210171483-A1 BENZOTHIADIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 US disclosed
WO-2021110885-A1 BENZOTHIADIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 WO disclosed
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-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
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-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-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 (3 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-20210171483-A1 BENZOTHIADIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 NR1H4 5/4885SLC10A2 2/4885OPRM1 3114/4885
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 1/4885OPRM1 1622/4885
US-11225466-B2 Benzothiadiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 NR1H4 5/4885SLC10A2 2/4885OPRM1 3114/4885

“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.