SCHEMBL4937247

SCHEMBL4937247

CCCOc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)NOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.55
ITGB3 P05106 2/20 0.54
ITGA2B P08514 2/20 0.54
BCL2 P10415 1/20 0.52
CTSS P25774 7/20 0.51
CTSK P43235 6/20 0.51
CTSB P07858 2/20 0.51
CTSL P07711 1/20 0.51
PTPN1 P18031 3/20 0.47
AKT1 P31749 1/20 0.46
ACE P12821 1/20 0.45
REN P00797 1/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44

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
SCHEMBL4937234 1.00 HDAC8 (0.55) HDAC8ITGB3ITGA2BBCL2CTSS
SCHEMBL4935642 0.87 BCL2 (0.60) HDAC8ITGB3ITGA2BBCL2CTSS
SCHEMBL4935633 0.87 BCL2 (0.60) HDAC8ITGB3ITGA2BBCL2CTSS
SCHEMBL4927242 0.85 PTPN1 (0.61) HDAC8BCL2CTSSCTSKCTSB
SCHEMBL4927233 0.85 PTPN1 (0.61) HDAC8BCL2CTSSCTSKCTSB
SCHEMBL4934824 0.84 PTPN1 (0.56) HDAC8ITGB3ITGA2BBCL2CTSS
SCHEMBL4934829 0.84 PTPN1 (0.56) HDAC8ITGB3ITGA2BBCL2CTSS
SCHEMBL4934994 0.83 BCL2 (0.56) HDAC8BCL2CTSSCTSKCTSB
SCHEMBL4934981 0.83 BCL2 (0.56) HDAC8BCL2CTSSCTSKCTSB
SCHEMBL10350041 0.82 ITGB3 (0.60) HDAC8ITGB3ITGA2BBCL2CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative KUREHA CORPORATION (JP) 2008-06-05 US disclosed
EP-1707560-A1 HYDROXAMIC ACID DERIVATIVE AND AGE GENERATION INHIBITOR CONTAINING THE DERIVATIVE Kureha Corporation (JP) 2006-10-04 EP 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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative HDAC5, HDAC1, HDAC9 HDAC8 4/4885ITGB3 4227/4885ITGA2B 2821/4885

“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.