SCHEMBL5743450

SCHEMBL5743450

CC[C@H](NC(=O)C(NC(=O)OCc1ccccc1)c1ccc(O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.53
CTSS P25774 3/20 0.53
CTSL P07711 2/20 0.53
CTSK P43235 4/20 0.50
ATM Q13315 1/20 0.48
BACE1 P56817 6/20 0.48
KLK1 P06870 1/20 0.46
CTSB P07858 1/20 0.45

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
SCHEMBL5743448 1.00 SYK (0.53) SYKCTSSCTSLCTSKATM
SCHEMBL4813504 0.88 CTSL (0.58) CTSSCTSLCTSKATMKLK1
SCHEMBL21340066 0.85 SYK (0.66) SYKCTSSCTSLCTSKCTSB
SCHEMBL11127997 0.85 SYK (0.66) SYKCTSSCTSLCTSKCTSB
SCHEMBL13688643 0.85 SYK (0.66) SYKCTSSCTSLCTSKCTSB
SCHEMBL5744988 0.84 CTSS (0.56) SYKCTSSCTSLCTSKATM
SCHEMBL31121703 0.82 BACE1 (0.48) CTSSCTSKBACE1
SCHEMBL15279890 0.81 CTSS (0.53) SYKCTSSCTSLCTSKATM
SCHEMBL6897765 0.81 CTSS (0.62) SYKCTSSCTSLCTSKATM
SCHEMBL4689227 0.80 CTSS (0.53) SYKCTSSCTSLCTSKATM

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 SYK 1552/4885CTSS 3474/4885CTSL 4012/4885

“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.