SCHEMBL13811752

SCHEMBL13811752

COC(=O)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.50
HDAC1 Q13547 3/20 0.50
PEPD P12955 1/20 0.43
ITGB3 P05106 10/20 0.43
ITGA2B P08514 10/20 0.43
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
TGM2 P21980 1/20 0.39
HDAC4 P56524 1/20 0.38
ATM Q13315 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
SCHEMBL13811751 0.91 HDAC8 (0.51) HDAC8HDAC1ITGB3ITGA2BMEN1
SCHEMBL13811764 0.85 HDAC8 (0.52) HDAC8HDAC1ITGB3ITGA2B
SCHEMBL13811763 0.83 HDAC1 (0.45) HDAC8HDAC1ITGB3ITGA2BMEN1
SCHEMBL13811781 0.82 HDAC8 (0.46) HDAC8HDAC1ITGB3ITGA2B
SCHEMBL13744721 0.78 PEPD (0.47) PEPD
SCHEMBL10347003 0.78 PEPD (0.47) PEPD
SCHEMBL13811762 0.78 HDAC1 (0.46) HDAC8HDAC1ITGB3ITGA2BMEN1
SCHEMBL12386370 0.78 ITGB3 (0.52) HDAC8HDAC1ITGB3ITGA2BMEN1
SCHEMBL2610958 0.77 HDAC1 (0.41) HDAC8HDAC1PEPDITGB3ITGA2B
SCHEMBL4430070 0.77 HDAC1 (0.41) HDAC8HDAC1PEPDITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163705-A1 CATIONIC LIPIDS ALNYLAM PHARMACEUTICALS, INC. (US) 2009-06-25 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 (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-20090163705-A1 CATIONIC LIPIDS CETP, SGMS1, SGMS2 HDAC8 1283/4885HDAC1 551/4885PEPD 987/4885

“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.