SCHEMBL253303

SCHEMBL253303

CC(C)(C)OC(=O)/N=C(\NCCCC(NC(=O)OC(C)(C)C)C(=O)NCCCCCCN)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.46
SIRT6 Q8N6T7 1/20 0.46
CTSS P25774 3/20 0.44
CTSK P43235 3/20 0.44
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CAPN1 P07384 1/20 0.41
ITGB3 P05106 6/20 0.40
ITGA2B P08514 6/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL253304 1.00 SIRT1 (0.46) SIRT1SIRT6CTSSCTSKCA1
SCHEMBL23626318 0.94 CTSK (0.49) CTSSCTSKCA1CA2CAPN1
SCHEMBL25502552 0.88 CTSK (0.45) CTSSCTSKCA1CA2CAPN1
SCHEMBL22906234 0.88 CTSK (0.46) CTSSCTSKCA1CA2CAPN1
SCHEMBL10060514 0.88 CTSK (0.43) SIRT1SIRT6CTSSCTSKCA1
SCHEMBL16504607 0.87 CTSS (0.48) CTSSCTSKCA1CA2CAPN1
SCHEMBL16504677 0.87 CTSS (0.48) CTSSCTSKCA1CA2CAPN1
SCHEMBL16572281 0.87 CTSS (0.48) CTSSCTSKCA1CA2CAPN1
SCHEMBL10316221 0.87 CTSK (0.46) CTSSCTSKCA1CA2CAPN1
SCHEMBL16572287 0.87 CTSS (0.48) CTSSCTSKCA1CA2CAPN1

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-9765019-B2 Small-molecule-targeted protein degradation BRANDEIS UNIVERSITY (US) 2017-09-19 US disclosed
US-20130190340-A1 Small-Molecule-Targeted Protein Degradation BRANDEIS UNIVERSITY (US) 2013-07-25 US disclosed
EP-2588129-A2 SMALL-MOLECULE-TARGETED PROTEIN DEGRADATION Brandeis University (US) 2013-05-08 EP disclosed
WO-2012003281-A2 SMALL-MOLECULE-TARGETED PROTEIN DEGRADATION BRANDEIS UNIVERSITY (US) 2012-01-05 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-20130190340-A1 Small-Molecule-Targeted Protein Degradation SMURF2, SMURF1, MDM2 SIRT1 3065/4885SIRT6 1484/4885CTSS 1059/4885

“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.