SCHEMBL22286407

SCHEMBL22286407

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.35
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SLC10A2 Q12908 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
PTPN1 P18031 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
LTA4H P09960 1/20 0.30

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
SCHEMBL22286406 0.92 SLC10A2 (0.37) FAAHCYP2C19RAB9ASLC10A2NR1H4
SCHEMBL22286570 0.92 SLC10A2 (0.37) CYP2C19SLC10A2NR1H4PTPN1KDM4E
SCHEMBL22286419 0.90 FAAH (0.35) FAAHCYP2C19RAB9ASLC10A2NR1H4
SCHEMBL22314801 0.89 SLC10A2 (0.38) FAAHCYP2C19RAB9ASLC10A2NR1H4
SCHEMBL22286470 0.89 NR1H4 (0.42) FAAHCYP2C19RAB9ASLC10A2NR1H4
SCHEMBL22286405 0.89 SLC10A2 (0.38) CYP2C19SLC10A2NR1H4
SCHEMBL22286484 0.87 SLC10A2 (0.35) FAAHCYP2C19RAB9ASLC10A2NR1H4
SCHEMBL23375185 0.87 SLC10A2 (0.39) SLC10A2NR1H4KDM4EALDH1A1HPGD
SCHEMBL22286444 0.86 NR1H4 (0.41) FAAHCYP2C19RAB9ASLC10A2NR1H4
SCHEMBL3814994 0.84 SLC10A2 (0.37) RAB9ASLC10A2NR1H4PTPN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS Albireo AB (SE) 2021-12-15 EP 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
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

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 FAAH 1043/4885CYP2C19 347/4885RAB9A 1661/4885
US-20200247768-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 FAAH 1043/4885CYP2C19 347/4885RAB9A 1661/4885
US-20210147372-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 FAAH 1043/4885CYP2C19 347/4885RAB9A 1661/4885
US-10975045-B2 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 FAAH 1043/4885CYP2C19 347/4885RAB9A 1661/4885

“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.