SCHEMBL4811517

SCHEMBL4811517

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
MAPT P10636 6/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 4/20 0.42
ALDH1A1 P00352 3/20 0.42
RECQL P46063 3/20 0.42
POLB P06746 3/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL4811522 0.88 CTSS (0.50) CTSSCTSKMAPTMEN1KMT2A
SCHEMBL30715283 0.88 CTSK (0.50) CTSSCTSKMAPTMEN1KMT2A
SCHEMBL10076059 0.88 CTSK (0.50) CTSSCTSKMAPTMEN1KMT2A
SCHEMBL23332653 0.83 CTSK (0.55) CTSSCTSKMAPTMEN1KMT2A
SCHEMBL18435386 0.83 CTSK (0.64) CTSSCTSKMAPTMEN1KMT2A
SCHEMBL4813221 0.82 CTSS (0.57) CTSSCTSK
SCHEMBL304548 0.82 CTSS (0.56) CTSSCTSKMAPTMEN1KMT2A
SCHEMBL12863008 0.82 CTSS (0.49) CTSSCTSKMAPTMEN1KMT2A
SCHEMBL304547 0.82 CTSS (0.56) CTSSCTSKMAPTMEN1KMT2A
SCHEMBL16349730 0.81 CTSK (0.47) CTSSCTSKMAPTMEN1KMT2A

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.