SCHEMBL5648482

SCHEMBL5648482

O=C(CS)N[C@@H](C(=O)NCCS(=O)(=O)O)c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ENPEP Q07075 4/20 0.34
SRC P12931 1/20 0.34
PTGIR P43119 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
SCHEMBL2942452 0.88 CNR1 (0.37) KMT2AATMCNR1CNR2ENPEP
SCHEMBL2942451 0.88 CNR1 (0.37) KMT2AATMCNR1CNR2ENPEP
SCHEMBL5648479 0.87 CNR1 (0.36) KMT2AATMCNR1CNR2ENPEP
SCHEMBL5741003 0.76 CNR1 (0.39) KMT2ACNR1CNR2
SCHEMBL5741002 0.76 CNR1 (0.39) KMT2ACNR1CNR2
SCHEMBL2944289 0.75 CNR1 (0.41) CNR1CNR2ENPEPSRC
SCHEMBL27538428 0.75 CNR1 (0.41) CNR1CNR2ENPEPSRC
SCHEMBL6616817 0.69 NAALAD2 (0.45) KMT2AATMCNR1CNR2
SCHEMBL6616814 0.69 NAALAD2 (0.45) KMT2AATMCNR1CNR2
SCHEMBL5840814 0.68 PTGS1 (0.44) KMT2A

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-1427718-B1 BENZOTHIEPINE ILEAL BILE ACID TRANSPORT INHIBOTORS ASTRAZENECA AB (SE) 2006-11-15 EP claimed
US-7226943-B2 Benzothiepine ileal bile acid transport inhibitors ASTRAZENECA AB (SE) 2007-06-05 US disclosed
EP-1427718-B1 BENZOTHIEPINE ILEAL BILE ACID TRANSPORT INHIBOTORS ASTRAZENECA AB (SE) 2006-11-15 EP disclosed
US-20050043393-A1 Benzothiepine ileal bile acid transport inhibitors ASTRAZENECA AB 2005-02-24 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-20050043393-A1 Benzothiepine ileal bile acid transport inhibitors SLC10A2, SLC10A1, ABCB11 KMT2A 2859/4885ATM 4485/4885CNR1 2704/4885

“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.