SCHEMBL3814847

SCHEMBL3814847

CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)O)cc2S(=O)(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.49
SLC10A2 Q12908 19/20 0.43

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
SCHEMBL3810929 0.97 NR1H4 (0.48) NR1H4SLC10A2
SCHEMBL14559699 0.97 NR1H4 (0.48) NR1H4SLC10A2
SCHEMBL6632483 0.95 NR1H4 (0.47) NR1H4SLC10A2
SCHEMBL5226375 0.95 NR1H4 (0.46) NR1H4SLC10A2
SCHEMBL23375139 0.93 NR1H4 (0.50) NR1H4SLC10A2
SCHEMBL14540326 0.93 NR1H4 (0.50) NR1H4SLC10A2
SCHEMBL27424458 0.93 NR1H4 (0.44) NR1H4SLC10A2
SCHEMBL23375099 0.93 NR1H4 (0.43) NR1H4SLC10A2
SCHEMBL5222558 0.93 NR1H4 (0.43) NR1H4SLC10A2
SCHEMBL23375114 0.92 NR1H4 (0.44) 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171479-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 US claimed
WO-2021110887-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 WO claimed
US-11014898-B1 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2021-05-25 US claimed
US-12024495-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2024-07-02 US disclosed
CN-115175918-A Method for manufacturing 1,5-benzothiazepine compound 埃洛比克斯股份公司 2022-10-11 CN disclosed
US-20210299141-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-09-30 US disclosed
US-20210171479-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 US disclosed
WO-2021110887-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 WO disclosed
US-11014898-B1 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2021-05-25 US disclosed
US-10995115-B2 Process for the preparation of 1,5-benzothiazepine compounds ELOBIX AB (SE) 2021-05-04 US disclosed
US-10995115-B2 Process for the preparation of 1,5-benzothiazepine compounds ELOBIX AB (SE) 2021-05-04 US disclosed
US-7192946-B2 Benzothiazepine derivatives ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-7192945-B2 Benzothiazepine derivatives ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-20050222120-A1 Peptides derivatives comprising thiazepine group for the treatment of hyperlipidermic conditions ELOBIX AB (SE) 2005-10-06 US disclosed
US-20040254160-A1 Benzothiazepine derivatives ELOBIX AB (SE) 2004-12-16 US disclosed
EP-1430040-A1 BENZOTHIAZEPINE DERIVATIVES Astrazeneca AB (SE) 2004-06-23 EP disclosed
US-20040067933-A1 Chemical compounds ELOBIX AB (SE) 2004-04-08 US disclosed
EP-1345918-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2003020710-A1 BENZOTHIAZEPINE DERIVATIVES ASTRAZENECA AB (SE) 2003-03-13 WO disclosed
WO-2002050051-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-06-27 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 (8 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-12024495-B2 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885SLC10A2 2/4885
US-20210171479-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885SLC10A2 2/4885
US-20040067933-A1 Chemical compounds SLC10A2, SLC10A1, ABCB11 NR1H4 7/4885SLC10A2 1/4885
US-20050222120-A1 Peptides derivatives comprising thiazepine group for the treatment of hyperlipidermic conditions SLC10A2, SLC10A1, ABCB11 NR1H4 7/4885SLC10A2 1/4885
US-20210299141-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885SLC10A2 2/4885
US-10995115-B2 Process for the preparation of 1,5-benzothiazepine compounds CYP4B1, CYP3A5, CYP4X1 NR1H4 1464/4885SLC10A2 463/4885
US-11014898-B1 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885SLC10A2 2/4885
US-20040254160-A1 Benzothiazepine derivatives SLC10A2, SLC10A1, ABCB11 NR1H4 6/4885SLC10A2 1/4885

“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.