SCHEMBL30728107

SCHEMBL30728107

CCCC[C@]1(CC)CN(c2ccc(F)cc2)c2cc(OC)c(CSCC(=O)O)cc2S(=O)(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 19/20 0.39
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL26985860 1.00 SLC10A2 (0.39) SLC10A2ALDH1A1
SCHEMBL26986038 1.00 SLC10A2 (0.39) SLC10A2ALDH1A1
SCHEMBL26986007 1.00 SLC10A2 (0.39) SLC10A2ALDH1A1
SCHEMBL30728346 1.00 SLC10A2 (0.39) SLC10A2ALDH1A1
SCHEMBL30728138 1.00 SLC10A2 (0.39) SLC10A2ALDH1A1
SCHEMBL26986233 0.97 SLC10A2 (0.39) SLC10A2ALDH1A1
SCHEMBL30728249 0.97 SLC10A2 (0.39) SLC10A2ALDH1A1
SCHEMBL26990277 0.95 SLC10A2 (0.39) SLC10A2
SCHEMBL30728111 0.93 SLC10A2 (0.43) SLC10A2
SCHEMBL30728141 0.93 SLC10A2 (0.43) SLC10A2

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
EP-4551562-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS Albireo AB (SE) 2025-05-14 EP claimed
WO-2024008766-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2024-01-11 WO claimed
EP-4551562-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS Albireo AB (SE) 2025-05-14 EP disclosed
CN-119487013-A Benzothiepine (di) nitrogen cycloheptatriene compounds Compounds and their use as bile acid modulators 阿尔比里奥公司 2025-02-18 CN disclosed
US-20240067617-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2024-02-29 US disclosed
WO-2024008766-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2024-01-11 WO 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 (1 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-20240067617-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885ALDH1A1 688/4885

“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.