SCHEMBL919340

SCHEMBL919340

CC(C)(C)OC[C@H](NC(=O)[C@H](N)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.42
CTSK P43235 5/20 0.42
CTSL P07711 2/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MAPT P10636 6/20 0.39
NPSR1 Q6W5P4 5/20 0.39
POLB P06746 4/20 0.39
RECQL P46063 3/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
PAX8 Q06710 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38

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
SCHEMBL918298 0.88 GRN (0.49) CTSSCTSKCTSLGRNSORT1
SCHEMBL918296 0.88 GRN (0.49) CTSSCTSKCTSLGRNSORT1
SCHEMBL30064554 0.83 MMP1 (0.51) CTSSCTSKCTSLMMP1MMP3
SCHEMBL5744988 0.78 CTSS (0.56) CTSSCTSKCTSLCTSB
SCHEMBL30030351 0.78 CTSS (0.37) CTSSCTSKCTSLMMP1MMP3
SCHEMBL30948785 0.77 MMP1 (0.38) CTSSCTSKMMP1MMP3MMP9
SCHEMBL305032 0.76 L3MBTL1 (0.45) CTSSCTSKMAPTNPSR1RECQL
SCHEMBL30065221 0.76 L3MBTL1 (0.45) CTSSCTSKMAPTNPSR1RECQL
SCHEMBL594359 0.76 L3MBTL1 (0.45) CTSSCTSKMAPTNPSR1RECQL
SCHEMBL5744231 0.76 CTSS (0.40) CTSSCTSKMMP1MMP3MMP9

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 14 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
US-7906502-B2 2-azetidinone derivatives as cholesterol absorption inhibitors for the treatment of hyperlipidaemic conditions ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-7871998-B2 Diphenylazetidinone derivatives possessing cholesterol absorption inhibitory activity ASTRAZENECA AB (SE) 2011-01-18 US disclosed
EP-1699759-B1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-10-20 EP disclosed
US-20100168039-A1 Novel 2-Azetidinone Derivatives As Cholesterol Absorption Inhibitors For The Treatment Of Hyperlipidaemic Conditions ASTRAZENECA AB (SE) 2010-07-01 US disclosed
US-20100099657-A2 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity ASTRAZENECA AB (SE) 2010-04-22 US disclosed
US-7470678-B2 Diphenylazetidinone derivatives for treating disorders of the lipid metabolism ASTRAZENECA AB (SE) 2008-12-30 US disclosed
US-20080064676-A1 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity ASTRAZENECA AB (SE) 2008-03-13 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-20050239766-A1 Diphenylazetidinone derivatives for treating disorders of the lipid metabolism ASTRAZENECA AB (SE) 2005-10-27 US disclosed
EP-1521742-A1 DIPHENYLAZETIDINONE DERIVATIVES FOR TREATING DISORDERS OF THE LIPID METABOLISM AstraZeneca AB (SE) 2005-04-13 EP 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
WO-2004005247-A1 DIPHENYLAZETIDINONE DERIVATIVES FOR TREATING DISORDERS OF THE LIPID METABOLISM ASTRAZENECA AB (SE) 2004-01-15 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 (5 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 CTSS 2276/4885CTSK 1633/4885CTSL 2060/4885
US-20100168039-A1 Novel 2-Azetidinone Derivatives As Cholesterol Absorption Inhibitors For The Treatment Of Hyperlipidaemic Conditions CYP46A1, NPC1L1, NPC1 CTSS 1568/4885CTSK 967/4885CTSL 1937/4885
US-20100099657-A2 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity CYP46A1, CYP51A1, DHCR7 CTSS 1464/4885CTSK 988/4885CTSL 1764/4885
US-20080064676-A1 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity CYP46A1, CYP51A1, DHCR7 CTSS 1464/4885CTSK 988/4885CTSL 1764/4885
US-20050038009-A1 Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (ibat) inhibitory activity for the treatment hyperlipidaemia SLC10A2, SLC10A1, ABCB11 CTSS 3474/4885CTSK 3422/4885CTSL 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.