SCHEMBL22476282

SCHEMBL22476282

CCCCC1(CC)CN(c2ccc([N+](=O)[O-])cc2)c2cc(SC)c(O/C=C/C(=O)O)cc2S(=O)(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.35
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 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
SCHEMBL28530341 1.00 NR1H4 (0.35) NR1H4CA2CA5ACA9
SCHEMBL28531367 0.97 NR1H4 (0.35) NR1H4CA2CA5ACA9
SCHEMBL22476246 0.97 NR1H4 (0.35) NR1H4CA2CA5ACA9
SCHEMBL22476280 0.93 NR1H4 (0.34) NR1H4CA2CA5ACA9
SCHEMBL28530342 0.93 NR1H4 (0.34) NR1H4CA2CA5ACA9
SCHEMBL29462854 0.92 MAPT (0.33) NR1H4
SCHEMBL22502860 0.92 MAPT (0.33) NR1H4
SCHEMBL28527722 0.90 NR1H4 (0.36) NR1H4
SCHEMBL22476267 0.90 NR1H4 (0.36) NR1H4
SCHEMBL21586024 0.90 NR1H4 (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802504-B1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2023-01-18 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-10793534-B2 Benzothia(di)azepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2020-10-06 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 (2 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 NR1H4 7/4885CA2 2162/4885CA5A 465/4885
US-20210017141-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 NR1H4 7/4885CA2 2162/4885CA5A 465/4885

“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.