SCHEMBL919245

SCHEMBL919245

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
ECE1 P42892 2/20 0.53
CYP3A4 P08684 2/20 0.53
MME P08473 1/20 0.53
ALDH1A1 P00352 2/20 0.52
ELANE P08246 1/20 0.51
PRTN3 P24158 1/20 0.51
CTSL P07711 2/20 0.50
CTSS P25774 2/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
CASP1 P29466 1/20 0.50
CASP3 P42574 1/20 0.50
CASP7 P55210 1/20 0.50
CASP9 P55211 1/20 0.50
CASP6 P55212 1/20 0.50
CASP8 Q14790 1/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL4582911 1.00 MAPK1 (0.53) MAPK1ECE1CYP3A4MMEALDH1A1
SCHEMBL4582904 1.00 MAPK1 (0.53) MAPK1ECE1CYP3A4MMEALDH1A1
SCHEMBL9556695 0.97 MAPK1 (0.51) MAPK1ECE1CYP3A4MMEALDH1A1
SCHEMBL30134450 0.95 ECE1 (0.54) MAPK1ECE1CYP3A4MMEALDH1A1
SCHEMBL9829175 0.92 ECE1 (0.53) MAPK1ECE1CYP3A4MMEALDH1A1
SCHEMBL9829163 0.92 ECE1 (0.53) MAPK1ECE1CYP3A4MMEALDH1A1
SCHEMBL23086205 0.89 MEN1 (0.60) MAPK1ECE1CYP3A4MMEALDH1A1
SCHEMBL23086208 0.89 MEN1 (0.60) MAPK1ECE1CYP3A4MMEALDH1A1
SCHEMBL23086206 0.89 MEN1 (0.60) MAPK1ECE1CYP3A4MMEALDH1A1
SCHEMBL10175007 0.89 CTSL (0.55) MAPK1ECE1CYP3A4MMEALDH1A1

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
US-7871998-B2 Diphenylazetidinone derivatives possessing cholesterol absorption inhibitory activity ASTRAZENECA AB (SE) 2011-01-18 US disclosed
US-20100099657-A2 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity ASTRAZENECA AB (SE) 2010-04-22 US disclosed
US-20080064676-A1 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20070142304-A1 Diphenylazetidinone derivatives possessing chloesterol absorption inhibitory activity ASTRAZENECA AB (SE) 2007-06-21 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-20070142304-A1 Diphenylazetidinone derivatives possessing chloesterol absorption inhibitory activity CYP46A1, CYP51A1, NPC1L1 MAPK1 3315/4885ECE1 1261/4885CYP3A4 58/4885
US-20100099657-A2 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity CYP46A1, CYP51A1, DHCR7 MAPK1 2612/4885ECE1 989/4885CYP3A4 52/4885
US-20080064676-A1 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity CYP46A1, CYP51A1, DHCR7 MAPK1 2612/4885ECE1 989/4885CYP3A4 52/4885

“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.