SCHEMBL23375110

SCHEMBL23375110

CCCCC1(CCCC)CN(c2ccccc2)c2cc(C#N)c(OCC(=O)O)cc2S(O)(O)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 1/20 0.38
NR1H4 Q96RI1 1/20 0.36
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.34
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 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
SCHEMBL23375109 0.92 SLC10A2 (0.43) SLC10A2NR1H4ALDH1A1HPGDTP53
SCHEMBL23375134 0.90 DDB1 (0.35) SLC10A2NR1H4ALDH1A1HPGDTP53
SCHEMBL23375121 0.87 SLC10A2 (0.39) SLC10A2NR1H4PTGDR2
SCHEMBL23375167 0.87 SLC10A2 (0.48) SLC10A2NR1H4ALDH1A1HPGDPTGDR2
SCHEMBL23375106 0.87 SLC10A2 (0.39) SLC10A2NR1H4PTGDR2
SCHEMBL23375185 0.87 SLC10A2 (0.39) SLC10A2NR1H4ALDH1A1HPGDPTGDR2
SCHEMBL21585977 0.87 NR1H4 (0.32) NR1H4ALDH1A1HPGD
SCHEMBL23375155 0.85 SLC10A2 (0.38) SLC10A2NR1H4PTGDR2
SCHEMBL21331081 0.85 NR1H4 (0.48) SLC10A2NR1H4ALDH1A1PTGDR2
SCHEMBL23375181 0.84 SLC10A2 (0.40) SLC10A2NR1H4PTGDR2

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 9 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 claimed
US-20210171479-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 US claimed
WO-2021110887-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 WO claimed
US-11014898-B1 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2021-05-25 US claimed
US-12024495-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2024-07-02 US 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 SLC10A2 2/4885NR1H4 6/4885ALDH1A1 706/4885
US-20210171479-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885NR1H4 6/4885ALDH1A1 676/4885
US-20210299141-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885NR1H4 6/4885ALDH1A1 706/4885
US-11014898-B1 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885NR1H4 6/4885ALDH1A1 706/4885

“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.