SCHEMBL23375182

SCHEMBL23375182

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

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.47
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 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
SCHEMBL23375107 0.97 NR1H4 (0.47) NR1H4MEN1ALDH1A1KMT2A
SCHEMBL23375117 0.93 NR1H4 (0.42) NR1H4MEN1ALDH1A1KMT2A
SCHEMBL23375183 0.92 NR1H4 (0.48) NR1H4MEN1ALDH1A1KMT2A
SCHEMBL23375129 0.92 NR1H4 (0.47) NR1H4
SCHEMBL23375172 0.92 NR1H4 (0.47) NR1H4
SCHEMBL23375146 0.92 NR1H4 (0.47) NR1H4
SCHEMBL23375159 0.90 NR1H4 (0.43) NR1H4MEN1ALDH1A1KMT2A
SCHEMBL23375108 0.89 NR1H4 (0.49) NR1H4MEN1ALDH1A1KMT2A
SCHEMBL23375137 0.89 NR1H4 (0.48) NR1H4
SCHEMBL23375125 0.88 NR1H4 (0.40) NR1H4MEN1ALDH1A1KMT2A

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 5 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
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 6/4885MEN1 4561/4885ALDH1A1 706/4885
US-20210171479-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885MEN1 4541/4885ALDH1A1 676/4885
US-20210299141-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885MEN1 4561/4885ALDH1A1 706/4885
US-11014898-B1 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885MEN1 4561/4885ALDH1A1 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.