SCHEMBL5744361

SCHEMBL5744361

CCCCC1(CCCC)CN(c2ccccc2)c2cc(Br)c(OCC(=O)N[C@@H](C(=O)NCC(=O)O)c3ccccc3)cc2S(=O)(=O)N1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.63
SLC10A2 Q12908 13/20 0.36
CTSD P07339 3/20 0.33
PTPN1 P18031 3/20 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
SCHEMBL5843738 0.93 NR1H4 (0.64) NR1H4SLC10A2CTSD
SCHEMBL2687279 0.91 NR1H4 (0.76) NR1H4SLC10A2CTSD
SCHEMBL16415717 0.91 NR1H4 (0.76) NR1H4SLC10A2CTSD
SCHEMBL5743635 0.87 NR1H4 (0.83) NR1H4SLC10A2
SCHEMBL5845464 0.87 NR1H4 (0.66) NR1H4SLC10A2CTSDPTPN1
SCHEMBL14559686 0.86 NR1H4 (0.48) NR1H4SLC10A2CTSD
SCHEMBL5742730 0.86 NR1H4 (0.53) NR1H4SLC10A2
SCHEMBL29728490 0.86 NR1H4 (0.53) NR1H4SLC10A2
SCHEMBL25249701 0.84 NR1H4 (0.77) NR1H4SLC10A2CTSDPTPN1
SCHEMBL4732517 0.84 NR1H4 (0.74) NR1H4SLC10A2CTSD

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-1427423-B9 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2017-12-20 EP disclosed
EP-1427423-B1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2006-12-27 EP disclosed
US-7132416-B2 Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (IBAT) inhibotory activity for the treatment hyperlipidaemia ASTRAZENECA AB (SE) 2006-11-07 US disclosed
US-20050038009-A1 Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (ibat) inhibitory activity for the treatment hyperlipidaemia ALBIREO AB (SE) 2005-02-17 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 (1 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-20050038009-A1 Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (ibat) inhibitory activity for the treatment hyperlipidaemia SLC10A2, SLC10A1, ABCB11 NR1H4 4/4885SLC10A2 1/4885CTSD 3216/4885

“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.