SCHEMBL5744007

SCHEMBL5744007

CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)O)c3ccc(O)cc3)cc2S(=O)(=O)N1

nearest known ligand 0.92

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.92
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
SLC10A2 Q12908 3/20 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
SCHEMBL5743383 0.96 NR1H4 (0.85) NR1H4SLC10A2
Odevixibat SCHEMBL16414427 0.96 NR1H4 (1.00) NR1H4KMT2AATMSLC10A2
Odevixibat SCHEMBL25794588 0.96 NR1H4 (1.00) NR1H4KMT2AATMSLC10A2
Odevixibat SCHEMBL946468 0.96 NR1H4 (1.00) NR1H4KMT2AATMSLC10A2
Odevixibat SCHEMBL31121705 0.96 NR1H4 (1.00) NR1H4KMT2AATMSLC10A2
Odevixibat SCHEMBL19046540 0.96 NR1H4 (1.00) NR1H4KMT2AATMSLC10A2
Odevixibat SCHEMBL17733623 0.96 NR1H4 (1.00) NR1H4KMT2AATMSLC10A2
SCHEMBL2697206 0.95 NR1H4 (0.92) NR1H4KMT2AATMSLC10A2
SCHEMBL919879 0.95 NR1H4 (0.92) NR1H4KMT2AATMSLC10A2
SCHEMBL919688 0.95 NR1H4 (0.92) NR1H4KMT2AATMSLC10A2

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 4/4885KMT2A 1598/4885ATM 4139/4885

“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.