SCHEMBL23375113

SCHEMBL23375113

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.43
SLC10A2 Q12908 7/20 0.36
F10 P00742 1/20 0.33
TSHR P16473 1/20 0.32
PTGDR2 Q9Y5Y4 4/20 0.32
MCL1 Q07820 1/20 0.31
PPARD Q03181 2/20 0.31
LMNA P02545 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL23375138 0.97 NR1H4 (0.42) NR1H4SLC10A2F10TSHRPTGDR2
SCHEMBL23375151 0.97 NR1H4 (0.42) NR1H4SLC10A2F10TSHRPTGDR2
SCHEMBL23375135 0.97 NR1H4 (0.42) NR1H4SLC10A2F10TSHRPTGDR2
SCHEMBL23375159 0.93 NR1H4 (0.43) NR1H4SLC10A2TSHRMEN1MAPT
SCHEMBL23375114 0.92 NR1H4 (0.44) NR1H4SLC10A2F10TSHRMEN1
SCHEMBL23375137 0.92 NR1H4 (0.48) NR1H4SLC10A2
SCHEMBL21331081 0.92 NR1H4 (0.48) NR1H4SLC10A2TSHRPTGDR2PPARG
SCHEMBL23375098 0.91 NR1H4 (0.42) NR1H4SLC10A2PTGDR2
SCHEMBL23375119 0.91 NR1H4 (0.42) NR1H4SLC10A2TSHRPTGDR2PPARD
SCHEMBL23375144 0.90 NR1H4 (0.40) 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 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
WO-2021110887-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 WO claimed
US-20210171479-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 US 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 NR1H4 6/4885SLC10A2 2/4885F10 4270/4885
US-20210171479-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885SLC10A2 2/4885F10 4225/4885
US-20210299141-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885SLC10A2 2/4885F10 4270/4885
US-11014898-B1 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 NR1H4 6/4885SLC10A2 2/4885F10 4270/4885

“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.