SCHEMBL22286555

SCHEMBL22286555

CCCCC1(C)CN(c2ccccc2)c2cc(SC)c(OCCC(=O)O)cc2S(O)(O)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.43
SLC10A2 Q12908 5/20 0.36
CYP2C19 P33261 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.31
CYSLTR2 Q9NS75 2/20 0.31
CYSLTR1 Q9Y271 2/20 0.31
LTB4R Q15722 1/20 0.31
PLA2G4B P0C869 1/20 0.31
RXRA P19793 1/20 0.31
S1PR5 Q9H228 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL22286373 0.93 NR1H4 (0.38) NR1H4SLC10A2THRATHRB
SCHEMBL22286371 0.93 NR1H4 (0.38) NR1H4SLC10A2THRATHRB
SCHEMBL22286518 0.93 NR1H4 (0.38) NR1H4SLC10A2THRATHRB
SCHEMBL22286647 0.92 NR1H4 (0.45) NR1H4SLC10A2CYP2C19
SCHEMBL22286670 0.92 NR1H4 (0.45) NR1H4SLC10A2CYP2C19
SCHEMBL22286553 0.92 NR1H4 (0.45) NR1H4SLC10A2CYP2C19
SCHEMBL22286630 0.91 NR1H4 (0.44) NR1H4SLC10A2CYP2C19THRATHRB
SCHEMBL22286437 0.89 NR1H4 (0.43) NR1H4SLC10A2CYP2C19THRATHRB
SCHEMBL22286541 0.87 NR1H4 (0.46) NR1H4
SCHEMBL22286513 0.87 NR1H4 (0.46) NR1H4

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 13 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-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 (4 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 NR1H4 6/4885SLC10A2 2/4885CYP2C19 347/4885
US-20200247768-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885SLC10A2 2/4885CYP2C19 347/4885
US-20210147372-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885SLC10A2 2/4885CYP2C19 347/4885
US-10975045-B2 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885SLC10A2 2/4885CYP2C19 347/4885

“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.