SCHEMBL21585976

SCHEMBL21585976

CCCCC1(CCCC)CN(c2ccccc2)c2cc(C#N)c(O/C=C/C(=O)O)cc2S(=O)(=O)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.33
SLC10A2 Q12908 10/20 0.33
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL21585977 0.92 NR1H4 (0.32) NR1H4ALDH1A1HPGD
SCHEMBL29462791 0.91 SLC10A2 (0.34) NR1H4SLC10A2ALDH1A1
SCHEMBL21589614 0.91 SLC10A2 (0.34) NR1H4SLC10A2ALDH1A1
SCHEMBL22476269 0.89 SLC10A2 (0.36) NR1H4SLC10A2
SCHEMBL21589636 0.89 SLC10A2 (0.36) NR1H4SLC10A2
SCHEMBL22476216 0.88 SLC10A2 (0.40) SLC10A2
SCHEMBL21589790 0.88 SLC10A2 (0.33) NR1H4SLC10A2
SCHEMBL21589638 0.88 SLC10A2 (0.40) SLC10A2
SCHEMBL28524624 0.88 SLC10A2 (0.40) SLC10A2
SCHEMBL21586096 0.87 SLC10A2 (0.41) SLC10A2

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 16 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
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
EP-3802504-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS Albireo AB (SE) 2021-04-14 EP 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
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 2/4885ALDH1A1 688/4885
US-11306064-B2 Benzothia(di)azepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 NR1H4 7/4885SLC10A2 2/4885ALDH1A1 688/4885
US-20210017141-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 NR1H4 7/4885SLC10A2 2/4885ALDH1A1 688/4885

“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.