SCHEMBL2942452

SCHEMBL2942452

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
SRC P12931 1/20 0.35
PTGIR P43119 1/20 0.34
ENPEP Q07075 2/20 0.33
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CHRND Q07001 1/20 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
SCHEMBL2942451 0.90 CNR1 (0.37) CNR1CNR2KMT2AATMSRC
SCHEMBL5648479 0.88 CNR1 (0.36) CNR1CNR2KMT2AATMSRC
SCHEMBL5648482 0.88 KMT2A (0.38) CNR1CNR2KMT2AATMSRC
SCHEMBL5741003 0.88 CNR1 (0.39) CNR1CNR2KMT2AALDH1A1
SCHEMBL6616817 0.81 NAALAD2 (0.45) CNR1CNR2KMT2AATMFOLH1
SCHEMBL6185886 0.79 NAALAD2 (0.43) CNR1CNR2KMT2AATMNAALAD2
SCHEMBL5742305 0.78 KMT2A (0.41) CNR1CNR2KMT2AATMFOLH1
SCHEMBL5741002 0.77 CNR1 (0.39) CNR1CNR2KMT2AALDH1A1
SCHEMBL2944289 0.76 CNR1 (0.41) CNR1CNR2SRCENPEP
SCHEMBL27538428 0.76 CNR1 (0.41) CNR1CNR2SRCENPEP

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 17 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-1427713-B1 BENZOTHIAZEPINE DERIVATIVES FOR THE TREATMENT OF HYPERLIPIDEMIA ALBIREO AB (SE) 2010-01-06 EP disclosed
US-7470678-B2 Diphenylazetidinone derivatives for treating disorders of the lipid metabolism ASTRAZENECA AB (SE) 2008-12-30 US 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-7125864-B2 Benzothiazepine derivatives for the treatment of hyperlipidemia ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20050239766-A1 Diphenylazetidinone derivatives for treating disorders of the lipid metabolism ASTRAZENECA AB (SE) 2005-10-27 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
US-20050032776-A1 Benzothiazepine derivatives for the treatment of hyperlipidemia ALBIREO AB (SE) 2005-02-10 US disclosed
EP-1427713-A1 BENZOTHIAZEPINE DERIVATIVES FOR THE TREATMENT OF HYPERLIPIDEMIA Astrazeneca AB (SE) 2004-06-16 EP disclosed
EP-1427423-A1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA AstraZeneca AB (SE) 2004-06-16 EP disclosed
WO-2003022286-A1 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2003-03-20 WO disclosed
WO-2003022825-A1 BENZOTHIAZEPINE DERIVATIVES FOR THE TREATMENT OF HYPERLIPIDEMIA ASTRAZENECA AB (SE) 2003-03-20 WO 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 (3 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-20050239766-A1 Diphenylazetidinone derivatives for treating disorders of the lipid metabolism CYP46A1, CYP27A1, CYP7A1 CNR1 3828/4885CNR2 4030/4885KMT2A 3061/4885
US-20050032776-A1 Benzothiazepine derivatives for the treatment of hyperlipidemia SLC10A2, SLC10A1, LCAT CNR1 927/4885CNR2 744/4885KMT2A 827/4885
US-20050038009-A1 Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (ibat) inhibitory activity for the treatment hyperlipidaemia SLC10A2, SLC10A1, ABCB11 CNR1 789/4885CNR2 863/4885KMT2A 1598/4885

“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.