Sugi Predict

Sugi Predict / Compounds / SCHEMBL21589695

SCHEMBL21589695

SCHEMBL21589695

CCCC[C@]1(CC)CN(c2ccccc2)c2cc(NC)c(O/C=C/C(=O)O)cc2S(=O)(=O)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC10A2 Q12908 18/20 0.34
▸ NR1H4 Q96RI1 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ATG4B Q9Y4P1 1/20 0.32

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
SCHEMBL21589694 1.00 SLC10A2 (0.34) SLC10A2NR1H4LMNAPLA2G1BTSHR
SCHEMBL29462827 1.00 SLC10A2 (0.34) SLC10A2NR1H4LMNAPLA2G1BTSHR
SCHEMBL21589770 1.00 SLC10A2 (0.34) SLC10A2NR1H4LMNAPLA2G1BTSHR
SCHEMBL22476189 0.92 NR1H4 (0.32) NR1H4LMNAPLA2G1BTSHRKMT2A
SCHEMBL29462804 0.91 SLC10A2 (0.36) SLC10A2NR1H4LMNAPLA2G1BTSHR
SCHEMBL21589616 0.91 SLC10A2 (0.36) SLC10A2NR1H4LMNAPLA2G1BTSHR
SCHEMBL22502861 0.90 SLC10A2 (0.37) SLC10A2NR1H4
SCHEMBL21586020 0.89 SLC10A2 (0.41) SLC10A2
SCHEMBL21586019 0.89 SLC10A2 (0.41) SLC10A2
SCHEMBL21589715 0.89 SLC10A2 (0.34) SLC10A2NR1H4

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
CN-112449637-A Benzothia (di) azepanes and their use as bile acid modulators 阿尔比里奥公司 2021-03-05 — — CN claimed
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
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

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 2/4885NR1H4 7/4885LMNA 3539/4885
US-11306064-B2 Benzothia(di)azepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885NR1H4 7/4885LMNA 3539/4885
US-20210017141-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885NR1H4 7/4885LMNA 3539/4885

“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.