SCHEMBL13811751

SCHEMBL13811751

C[C@H]1C[C@@H](C(=O)O)N(C(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.51
HDAC1 Q13547 1/20 0.51
ITGB3 P05106 10/20 0.46
ITGA2B P08514 10/20 0.46
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CXCR3 P49682 2/20 0.40
KLK7 P49862 2/20 0.40
KLK5 Q9Y337 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL13811752 0.91 HDAC8 (0.50) HDAC8HDAC1ITGB3ITGA2BMEN1
SCHEMBL13811764 0.86 HDAC8 (0.52) HDAC8HDAC1ITGB3ITGA2BCXCR3
SCHEMBL13610590 0.85 ITGB3 (0.40) HDAC8HDAC1ITGB3ITGA2BCTSS
SCHEMBL13811763 0.84 HDAC1 (0.45) HDAC8HDAC1ITGB3ITGA2BMEN1
SCHEMBL13811781 0.83 HDAC8 (0.46) HDAC8HDAC1ITGB3ITGA2BCTSS
SCHEMBL16924987 0.83 ITGB3 (0.52) HDAC8HDAC1ITGB3ITGA2BMEN1
SCHEMBL5667917 0.80 ITGB3 (0.57) ITGB3ITGA2BKLK7KLK5
SCHEMBL11397295 0.80 ITGB3 (0.52) HDAC8HDAC1ITGB3ITGA2B
SCHEMBL11397298 0.80 ITGB3 (0.52) HDAC8HDAC1ITGB3ITGA2B
SCHEMBL10666091 0.80 ITGB3 (0.47) HDAC8HDAC1ITGB3ITGA2BMEN1

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 551/4885ITGB3 922/4885

“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.