SCHEMBL22286374

SCHEMBL22286374

CCCC(CC)(CBr)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
FDPS P14324 1/20 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
SCHEMBL1244829 0.87 FDPS (0.36) MEN1ALDH1A1KMT2AFDPS
SCHEMBL12196377 0.87 FDPS (0.36) MEN1ALDH1A1KMT2AFDPS
SCHEMBL2846893 0.87 FDPS (0.36) MEN1ALDH1A1KMT2AFDPS
SCHEMBL3868579 0.85 TSHR (0.33) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL2200625 0.85 ALDH1A1 (0.38) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL8030539 0.85 TSHR (0.33) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL580695 0.85 ALDH1A1 (0.38) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL9180645 0.83 ALDH1A1 (0.37) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL9344562 0.81 ALDH1A1 (0.35) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL9181624 0.81 ALDH1A1 (0.35) MEN1ALDH1A1CYP1A2THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118834175-A Benzothiazacycloalkanes Heptatriene compounds use thereof as bile acid modulators 阿尔比里奥公司 2024-10-25 CN disclosed
CN-113453753-B Benzothiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2024-07-23 CN disclosed
CN-114761080-B Benzothiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2024-07-23 CN disclosed
US-11891368-B2 Benzothia(di)azepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2024-02-06 US disclosed
EP-4069361-B1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2024-01-03 EP disclosed
US-11773071-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2023-10-03 US disclosed
EP-3921027-B1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2023-07-19 EP disclosed
EP-4069361-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS Albireo AB (SE) 2022-10-12 EP disclosed
CN-114761080-A Benzothia (di) azepin compounds and their use as bile acid modulators 阿尔比里奥公司 2022-07-15 CN disclosed
US-20220162176-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2022-05-26 US disclosed
US-11267794-B2 Benzothia(di)azepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2022-03-08 US disclosed
EP-3921027-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS Albireo AB (SE) 2021-12-15 EP disclosed
CN-113453753-A Benzothiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2021-09-28 CN disclosed
WO-2021110886-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 WO disclosed
US-20210171481-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 US disclosed
US-20210147372-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-05-20 US disclosed
US-10975045-B2 Benzothiazepine compounds and their use as bile acid modulators Aibireo AB (SE) 2021-04-13 US disclosed
WO-2020161216-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2020-08-13 WO disclosed
US-20200247768-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2020-08-06 US 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-11267794-B2 Benzothia(di)azepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 MEN1 4013/4885ALDH1A1 1005/4885CYP1A2 401/4885
US-11773071-B2 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 MEN1 4561/4885ALDH1A1 706/4885CYP1A2 292/4885
US-20200247768-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 MEN1 4561/4885ALDH1A1 706/4885CYP1A2 292/4885
US-20220162176-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 MEN1 4013/4885ALDH1A1 1005/4885CYP1A2 401/4885
US-20210147372-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 MEN1 4561/4885ALDH1A1 706/4885CYP1A2 292/4885
US-20210171481-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 MEN1 4013/4885ALDH1A1 1005/4885CYP1A2 401/4885
US-11891368-B2 Benzothia(di)azepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 MEN1 4013/4885ALDH1A1 1005/4885CYP1A2 401/4885
US-10975045-B2 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 MEN1 4561/4885ALDH1A1 706/4885CYP1A2 292/4885

“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.