SCHEMBL4811522

SCHEMBL4811522

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
RECQL P46063 3/20 0.42
MAPK1 P28482 2/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RIPK1 Q13546 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL30715283 0.88 CTSK (0.50) CTSSCTSKMAPTNPSR1MEN1
SCHEMBL10076059 0.88 CTSK (0.50) CTSSCTSKMAPTNPSR1MEN1
SCHEMBL4811517 0.88 CTSS (0.50) CTSSCTSKMAPTNPSR1MEN1
SCHEMBL23332653 0.83 CTSK (0.55) CTSSCTSKMAPTNPSR1MEN1
SCHEMBL18435386 0.83 CTSK (0.64) CTSSCTSKMAPTNPSR1MEN1
SCHEMBL4813238 0.82 CTSS (0.57) CTSSCTSK
SCHEMBL305715 0.82 CTSS (0.47) CTSSCTSKMAPTNPSR1MEN1
SCHEMBL305716 0.82 CTSS (0.47) CTSSCTSKMAPTNPSR1MEN1
SCHEMBL12863008 0.82 CTSS (0.49) CTSSCTSKMAPTNPSR1MEN1
SCHEMBL304548 0.82 CTSS (0.56) CTSSCTSKMAPTNPSR1MEN1

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-7470678-B2 Diphenylazetidinone derivatives for treating disorders of the lipid metabolism ASTRAZENECA AB (SE) 2008-12-30 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
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 (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-20050239766-A1 Diphenylazetidinone derivatives for treating disorders of the lipid metabolism CYP46A1, CYP27A1, CYP7A1 CTSS 2276/4885CTSK 1633/4885MAPT 1732/4885

“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.