SCHEMBL22314801

SCHEMBL22314801

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 15/20 0.38
RAB9A P51151 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
FAAH O00519 1/20 0.33
CYP2C19 P33261 1/20 0.33

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 0.97 SLC10A2 (0.37) SLC10A2RAB9ANR1H4FAAHCYP2C19
SCHEMBL14559698 0.92 SLC10A2 (0.38) SLC10A2RAB9ANR1H4
SCHEMBL3806800 0.92 SLC10A2 (0.38) SLC10A2RAB9ANR1H4
SCHEMBL22286643 0.92 SLC10A2 (0.43) SLC10A2NR1H4
SCHEMBL5223154 0.92 SLC10A2 (0.43) SLC10A2NR1H4
SCHEMBL22286487 0.92 SLC10A2 (0.43) SLC10A2NR1H4
SCHEMBL30611635 0.92 SLC10A2 (0.43) SLC10A2NR1H4
SCHEMBL30540746 0.92 SLC10A2 (0.43) SLC10A2NR1H4
SCHEMBL22286483 0.91 SLC10A2 (0.39) SLC10A2RAB9ANR1H4FAAHCYP2C19
SCHEMBL6633251 0.90 SLC10A2 (0.41) SLC10A2RAB9ANR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975045-B2 Benzothiazepine compounds and their use as bile acid modulators Aibireo AB (SE) 2021-04-13 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 (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-20200247768-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885RAB9A 1661/4885NR1H4 6/4885
US-10975045-B2 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885RAB9A 1661/4885NR1H4 6/4885

“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.