SCHEMBL22286405

SCHEMBL22286405

CCCCC1(CC)CN(c2ccccc2)c2cc(Br)c(OCCC(=O)O)cc2S(O)(O)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 12/20 0.38
NR1H4 Q96RI1 1/20 0.33
FABP3 P05413 1/20 0.33
S1PR5 Q9H228 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32
LTB4R Q15722 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL22286570 0.97 SLC10A2 (0.37) SLC10A2NR1H4FABP3S1PR5CYP2C19
SCHEMBL30611635 0.92 SLC10A2 (0.43) SLC10A2NR1H4
SCHEMBL22286643 0.92 SLC10A2 (0.43) SLC10A2NR1H4
SCHEMBL22286487 0.92 SLC10A2 (0.43) SLC10A2NR1H4
SCHEMBL5223154 0.92 SLC10A2 (0.43) SLC10A2NR1H4
SCHEMBL30540746 0.92 SLC10A2 (0.43) SLC10A2NR1H4
SCHEMBL23375168 0.92 SLC10A2 (0.40) SLC10A2NR1H4LMNANPSR1
SCHEMBL22286431 0.90 SLC10A2 (0.46) SLC10A2NR1H4LMNA
SCHEMBL22286359 0.90 SLC10A2 (0.40) SLC10A2NR1H4FABP3S1PR5CYP2C19
SCHEMBL22286481 0.89 SLC10A2 (0.37) SLC10A2NR1H4S1PR5CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773071-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2023-10-03 US claimed
EP-3921027-B1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2023-07-19 EP claimed
EP-3921027-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS Albireo AB (SE) 2021-12-15 EP claimed
US-10975045-B2 Benzothiazepine compounds and their use as bile acid modulators Aibireo AB (SE) 2021-04-13 US claimed
WO-2020161216-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2020-08-13 WO claimed
US-20200247768-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2020-08-06 US claimed
US-20240207286-A1 ASBT INHIBITORS IN THE TREATMENT OF RENAL DISEASES ALBIREO AB (SE) 2024-06-27 US disclosed
WO-2024121434-A1 ASBT INHIBITORS IN THE TREATMENT OF RENAL DISEASES ALBIREO AB (SE) 2024-06-13 WO disclosed
US-20230338392-A1 SUBCUTANEOUS ADMINISTRATION OF AN ASBT INHIBITOR ALBIREO AB (SE) 2023-10-26 US disclosed
WO-2023203248-A1 SUBCUTANEOUS ADMINISTRATION OF AN ASBT INHIBITOR ALBIREO AB (SE) 2023-10-26 WO 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-3921027-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS Albireo AB (SE) 2021-12-15 EP 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 (6 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-11773071-B2 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885NR1H4 6/4885FABP3 65/4885
US-20200247768-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885NR1H4 6/4885FABP3 65/4885
US-20230338392-A1 SUBCUTANEOUS ADMINISTRATION OF AN ASBT INHIBITOR SLC10A1, SLC10A2, SLC10A6 SLC10A2 2/4885NR1H4 5/4885FABP3 243/4885
US-20210147372-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885NR1H4 6/4885FABP3 65/4885
US-10975045-B2 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885NR1H4 6/4885FABP3 65/4885
US-20240207286-A1 ASBT INHIBITORS IN THE TREATMENT OF RENAL DISEASES SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885NR1H4 5/4885FABP3 120/4885

“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.