SCHEMBL23375121

SCHEMBL23375121

CCCCC1(CCCC)CN(c2ccccc2)c2cc(Cl)c(OCC(=O)O)cc2S(O)(O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 2/20 0.39
NR1H4 Q96RI1 1/20 0.37
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGIR P43119 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.33
CYP2C19 P33261 1/20 0.33
PSEN1 P49768 4/20 0.33
PSEN2 P49810 4/20 0.33

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
SCHEMBL23375162 0.92 LMNA (0.39) SLC10A2NR1H4TDP1MAPK1MEN1
SCHEMBL22286522 0.91 SLC10A2 (0.39) SLC10A2NR1H4TSHRHSD17B10MEN1
SCHEMBL23375120 0.91 SLC10A2 (0.44) SLC10A2NR1H4TDP1TSHRCYP3A4
SCHEMBL23375167 0.89 SLC10A2 (0.48) SLC10A2NR1H4MEN1KMT2APTGDR2
SCHEMBL23375106 0.89 SLC10A2 (0.39) SLC10A2NR1H4TSHRPTGDR2PSEN1
SCHEMBL23375185 0.89 SLC10A2 (0.39) SLC10A2NR1H4TSHRCYP3A4CYP2C9
SCHEMBL22286359 0.88 SLC10A2 (0.40) SLC10A2NR1H4TSHRHSD17B10MEN1
SCHEMBL23375155 0.88 SLC10A2 (0.38) SLC10A2NR1H4TSHRPTGIRPTGDR2
SCHEMBL21331081 0.88 NR1H4 (0.48) SLC10A2NR1H4TSHRPTGDR2PSEN1
SCHEMBL23375110 0.87 SLC10A2 (0.38) 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 6/4885TDP1 4359/4885
US-20210171479-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885NR1H4 6/4885TDP1 4367/4885
US-20210299141-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885NR1H4 6/4885TDP1 4359/4885
US-11014898-B1 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885NR1H4 6/4885TDP1 4359/4885

“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.