SCHEMBL21589665

SCHEMBL21589665

CCCCC1(CCCC)CN(c2ccc(OC)cc2)c2cc(SC)c(O/C=C/C(=O)O)cc2S(=O)(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.38
SLC10A2 Q12908 14/20 0.35
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SSTR5 P35346 1/20 0.31

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
SCHEMBL28531389 1.00 NR1H4 (0.38) NR1H4SLC10A2HTR1AHTR1DHTR1B
SCHEMBL28531392 0.92 NR1H4 (0.36) NR1H4SLC10A2HTR1AHTR1DHTR1B
SCHEMBL29189030 0.92 NR1H4 (0.36) NR1H4SLC10A2HTR1AHTR1DHTR1B
SCHEMBL22476202 0.92 NR1H4 (0.36) NR1H4SLC10A2HTR1AHTR1DHTR1B
SCHEMBL21589595 0.92 NR1H4 (0.43) NR1H4SLC10A2
SCHEMBL21586065 0.92 NR1H4 (0.37) NR1H4SLC10A2
SCHEMBL28529182 0.92 NR1H4 (0.37) NR1H4SLC10A2
SCHEMBL28535486 0.92 NR1H4 (0.43) NR1H4SLC10A2
SCHEMBL22286680 0.92 NR1H4 (0.42) NR1H4SLC10A2
SCHEMBL21585924 0.92 NR1H4 (0.42) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802504-B1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2023-01-18 EP claimed
US-11306064-B2 Benzothia(di)azepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2022-04-19 US claimed
CN-112449637-A Benzothia (di) azepanes and their use as bile acid modulators 阿尔比里奥公司 2021-03-05 CN claimed
US-20210017141-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-01-21 US claimed
US-10793534-B2 Benzothia(di)azepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2020-10-06 US claimed
CN-112449637-B Benzothiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2024-03-19 CN disclosed
EP-3802504-B1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2023-01-18 EP disclosed
EP-3802504-B1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2023-01-18 EP disclosed
US-11306064-B2 Benzothia(di)azepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2022-04-19 US disclosed
CN-112449637-A Benzothia (di) azepanes and their use as bile acid modulators 阿尔比里奥公司 2021-03-05 CN disclosed
US-20210017141-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-01-21 US disclosed
US-20210017141-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-01-21 US disclosed
US-10793534-B2 Benzothia(di)azepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2020-10-06 US disclosed
US-10793534-B2 Benzothia(di)azepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2020-10-06 US disclosed
WO-2019234077-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2019-12-12 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-10793534-B2 Benzothia(di)azepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 NR1H4 7/4885SLC10A2 2/4885HTR1A 508/4885
US-11306064-B2 Benzothia(di)azepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 NR1H4 7/4885SLC10A2 2/4885HTR1A 508/4885
US-20210017141-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 NR1H4 7/4885SLC10A2 2/4885HTR1A 508/4885

“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.