SCHEMBL22286406

SCHEMBL22286406

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 12/20 0.37
RAB9A P51151 1/20 0.34
FAAH O00519 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
CYP2C19 P33261 1/20 0.33
PTPN1 P18031 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL22314801 0.97 SLC10A2 (0.38) SLC10A2RAB9AFAAHNR1H4CYP2C19
SCHEMBL22286407 0.92 FAAH (0.35) SLC10A2RAB9AFAAHNR1H4CYP2C19
SCHEMBL3814994 0.92 SLC10A2 (0.37) SLC10A2RAB9ANR1H4PTPN1ALDH1A1
SCHEMBL22286569 0.92 SLC10A2 (0.42) SLC10A2NR1H4CYP2C19
SCHEMBL31051357 0.92 SLC10A2 (0.42) SLC10A2NR1H4CYP2C19
SCHEMBL22286418 0.90 SLC10A2 (0.39) SLC10A2RAB9AFAAHNR1H4CYP2C19
SCHEMBL7093163 0.90 SLC10A2 (0.41) SLC10A2RAB9ANR1H4KDM4EALDH1A1
SCHEMBL22286469 0.89 NR1H4 (0.44) SLC10A2RAB9AFAAHNR1H4CYP2C19
SCHEMBL3806800 0.89 SLC10A2 (0.38) SLC10A2RAB9ANR1H4ALDH1A1MAPT
SCHEMBL14559698 0.89 SLC10A2 (0.38) SLC10A2RAB9ANR1H4ALDH1A1MAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118834175-A Benzothiazacycloalkanes Heptatriene compounds use thereof as bile acid modulators 阿尔比里奥公司 2024-10-25 CN disclosed
CN-113453753-B Benzothiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2024-07-23 CN disclosed
US-11773071-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2023-10-03 US disclosed
US-11773071-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2023-10-03 US disclosed
US-11773071-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2023-10-03 US disclosed
EP-3921027-B1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2023-07-19 EP disclosed
EP-3921027-B1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2023-07-19 EP disclosed
EP-3921027-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS Albireo AB (SE) 2021-12-15 EP disclosed
CN-113453753-A Benzothiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2021-09-28 CN disclosed
US-20210147372-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-05-20 US disclosed
US-20210147372-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-05-20 US disclosed
US-10975045-B2 Benzothiazepine compounds and their use as bile acid modulators Aibireo AB (SE) 2021-04-13 US disclosed
US-10975045-B2 Benzothiazepine compounds and their use as bile acid modulators Aibireo AB (SE) 2021-04-13 US disclosed
WO-2020161216-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2020-08-13 WO disclosed
WO-2020161216-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2020-08-13 WO disclosed
US-20200247768-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2020-08-06 US disclosed
US-20200247768-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2020-08-06 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 (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-11773071-B2 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885RAB9A 1661/4885FAAH 1043/4885
US-20200247768-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885RAB9A 1661/4885FAAH 1043/4885
US-20210147372-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885RAB9A 1661/4885FAAH 1043/4885
US-10975045-B2 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885RAB9A 1661/4885FAAH 1043/4885

“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.