SCHEMBL5743477

SCHEMBL5743477

C[C@H](O)[C@H](NC(=O)[C@H](NC(=O)CO)c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.50
HTRA1 Q92743 8/20 0.44
LTA4H P09960 1/20 0.42
ANPEP P15144 1/20 0.42
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP3 P08254 2/20 0.41
MMP9 P14780 2/20 0.41
MMP14 P50281 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL5742219 0.90 MME (0.56) MMEHTRA1MMP1MMP2MMP3
SCHEMBL5743939 0.89 FOLH1 (0.43) MMEHTRA1KMT2A
SCHEMBL5743468 0.89 MME (0.50) MMEHTRA1LTA4HANPEPMMP1
SCHEMBL5743471 0.89 MME (0.50) MMEHTRA1LTA4HANPEPMMP1
SCHEMBL5745263 0.86 CYP2C9 (0.48) MMEANPEPMEN1KMT2A
SCHEMBL5743711 0.84 MME (0.54) MMELTA4HANPEPMMP1MMP2
SCHEMBL5743698 0.82 MME (0.51) MMELTA4HANPEPMMP1MMP2
SCHEMBL5743248 0.80 MME (0.44) MMEHTRA1KMT2A
SCHEMBL5744082 0.80 MME (0.57) MMELTA4HANPEPMMP1MMP2
SCHEMBL5743858 0.79 MME (0.54) MMEMEN1KMT2A

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 8 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 claimed
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 claimed
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 claimed
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 claimed
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 MME 1556/4885HTRA1 1304/4885LTA4H 1033/4885

“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.