SCHEMBL920209

SCHEMBL920209

CC(C)(C)OCC(NC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.58
CTSL P07711 3/20 0.58
ATM Q13315 1/20 0.57
CTSK P43235 4/20 0.53
PPARA Q07869 1/20 0.48
BACE1 P56817 4/20 0.48
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
CTSB P07858 1/20 0.47
MME P08473 1/20 0.47
SYK P43405 1/20 0.46

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
SCHEMBL920208 1.00 CTSS (0.58) CTSSCTSLATMCTSKPPARA
SCHEMBL5744988 0.91 CTSS (0.56) CTSSCTSLATMCTSKBACE1
SCHEMBL3821264 0.89 CTSK (0.62) CTSSCTSLCTSKPPARAITGB3
SCHEMBL31276612 0.89 CTSK (0.62) CTSSCTSLCTSKPPARAITGB3
SCHEMBL1410812 0.88 CTSK (0.61) CTSSCTSLCTSKPPARAITGB3
SCHEMBL1409909 0.88 CTSK (0.61) CTSSCTSLCTSKPPARAITGB3
SCHEMBL607263 0.88 CTSK (0.61) CTSSCTSLCTSKPPARAITGB3
SCHEMBL30999365 0.86 CTSK (0.58) CTSSCTSLCTSKPPARACTSB
SCHEMBL3824387 0.84 CTSL (0.64) CTSSCTSLCTSKPPARAITGB3
SCHEMBL8932367 0.83 CTSL (0.62) CTSSCTSLATMCTSKBACE1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20050239766-A1 Diphenylazetidinone derivatives for treating disorders of the lipid metabolism ASTRAZENECA AB (SE) 2005-10-27 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 (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 CTSS 2276/4885CTSL 2060/4885ATM 4471/4885
US-20100099657-A2 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity CYP46A1, CYP51A1, DHCR7 CTSS 1464/4885CTSL 1764/4885ATM 4721/4885
US-20080064676-A1 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity CYP46A1, CYP51A1, DHCR7 CTSS 1464/4885CTSL 1764/4885ATM 4721/4885

“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.