SCHEMBL23375175

SCHEMBL23375175

CCCCC1(CC)CN(c2ccc(OC)cc2)c2cc(SC)c(OCC(=O)OC(C)(C)C)cc2S(O)(O)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.39
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 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
SCHEMBL23375144 0.97 NR1H4 (0.40) NR1H4PSEN1PSEN2APH1BNCSTN
SCHEMBL31042715 0.93 NR1H4 (0.40) NR1H4PSEN1PSEN2APH1BNCSTN
SCHEMBL31042716 0.93 NR1H4 (0.40) NR1H4PSEN1PSEN2APH1BNCSTN
SCHEMBL23395210 0.93 NR1H4 (0.40) NR1H4PSEN1PSEN2APH1BNCSTN
SCHEMBL23395211 0.93 NR1H4 (0.40) NR1H4PSEN1PSEN2APH1BNCSTN
SCHEMBL23375141 0.93 NR1H4 (0.40) NR1H4PSEN1PSEN2APH1BNCSTN
SCHEMBL23375117 0.93 NR1H4 (0.42) NR1H4PSEN1PSEN2APH1BNCSTN
SCHEMBL23375178 0.92 NR1H4 (0.38) NR1H4PSEN1PSEN2APH1BNCSTN
SCHEMBL23375151 0.90 NR1H4 (0.42) NR1H4
SCHEMBL23375135 0.90 NR1H4 (0.42) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024495-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2024-07-02 US disclosed
CN-114786773-A Benzothiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2022-07-22 CN disclosed
US-20210299141-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-09-30 US disclosed
US-20210171479-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 US disclosed
WO-2021110887-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 WO disclosed
US-11014898-B1 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2021-05-25 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-12024495-B2 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885PSEN1 916/4885PSEN2 1023/4885
US-20210171479-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885PSEN1 922/4885PSEN2 1051/4885
US-20210299141-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885PSEN1 916/4885PSEN2 1023/4885
US-11014898-B1 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885PSEN1 916/4885PSEN2 1023/4885

“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.