SCHEMBL21586090

SCHEMBL21586090

CCCCC1(CCCC)CN(c2ccccc2)c2ccc(OC)cc2S(=O)(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 16/20 0.49
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
GRIA2 P42262 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
SCHEMBL8026714 0.96 SLC10A2 (0.48) SLC10A2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL5228173 0.91 SLC10A2 (0.42) SLC10A2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL8014446 0.89 SLC10A2 (0.42) SLC10A2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL8026044 0.88 SLC10A2 (0.48) SLC10A2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL7090524 0.86 SLC10A2 (0.41) SLC10A2
SCHEMBL21586000 0.85 SLC10A2 (0.47) SLC10A2
SCHEMBL21585927 0.84 SLC10A2 (0.48) SLC10A2
SCHEMBL5224107 0.84 SLC10A2 (0.41) SLC10A2
SCHEMBL21586113 0.83 SLC10A2 (0.37) SLC10A2
SCHEMBL21589492 0.83 SLC10A2 (0.38) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112449637-B Benzothiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2024-03-19 CN disclosed
EP-3802504-B1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2023-01-18 EP disclosed
EP-3802504-B1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2023-01-18 EP disclosed
US-11306064-B2 Benzothia(di)azepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2022-04-19 US disclosed
EP-3802504-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS Albireo AB (SE) 2021-04-14 EP disclosed
CN-112449637-A Benzothia (di) azepanes and their use as bile acid modulators 阿尔比里奥公司 2021-03-05 CN disclosed
US-20210017141-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-01-21 US disclosed
US-20210017141-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-01-21 US disclosed
US-10793534-B2 Benzothia(di)azepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2020-10-06 US disclosed
US-10793534-B2 Benzothia(di)azepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2020-10-06 US disclosed
WO-2019234077-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2019-12-12 WO disclosed
WO-2019234077-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2019-12-12 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 (3 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-10793534-B2 Benzothia(di)azepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885CYP1A2 283/4885CYP2C9 242/4885
US-11306064-B2 Benzothia(di)azepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885CYP1A2 283/4885CYP2C9 242/4885
US-20210017141-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885CYP1A2 283/4885CYP2C9 242/4885

“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.