SCHEMBL22286371

SCHEMBL22286371

CCCC[C@]1(C)CN(c2ccc(F)cc2)c2cc(SC)c(OCCC(=O)O)cc2S(O)(O)C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.38
SLC10A2 Q12908 2/20 0.32
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 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 1.00 NR1H4 (0.38) NR1H4SLC10A2FABP3FABP4THRA
SCHEMBL22286518 1.00 NR1H4 (0.38) NR1H4SLC10A2FABP3FABP4THRA
SCHEMBL22286555 0.93 NR1H4 (0.43) NR1H4SLC10A2THRATHRB
SCHEMBL22286521 0.92 NR1H4 (0.39) NR1H4SLC10A2FABP3FABP4THRA
SCHEMBL22286456 0.92 NR1H4 (0.39) NR1H4SLC10A2FABP3FABP4THRA
SCHEMBL22286372 0.92 NR1H4 (0.39) NR1H4SLC10A2FABP3FABP4THRA
SCHEMBL22286366 0.91 NR1H4 (0.39) NR1H4SLC10A2FABP3FABP4THRA
SCHEMBL22286500 0.90 NR1H4 (0.38) NR1H4SLC10A2FABP3FABP4THRA
SCHEMBL22286524 0.90 NR1H4 (0.38) NR1H4SLC10A2FABP3FABP4THRA
SCHEMBL22286498 0.90 NR1H4 (0.38) NR1H4SLC10A2FABP3FABP4THRA

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 2/4885FABP3 65/4885
US-20200247768-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885SLC10A2 2/4885FABP3 65/4885
US-20210147372-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885SLC10A2 2/4885FABP3 65/4885
US-10975045-B2 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885SLC10A2 2/4885FABP3 65/4885

“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.