SCHEMBL13183147

SCHEMBL13183147

CCCCOC(=O)N[C@@H](CCCCCC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 9/20 0.47
CTSK P43235 5/20 0.46
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
CTSS P25774 1/20 0.44
SLC6A5 Q9Y345 1/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 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
SCHEMBL2222627 0.91 CTSK (0.46) NOD1CTSKCTSSITGB3ITGA2B
SCHEMBL7065541 0.91 CTSK (0.46) NOD1CTSKCTSSITGB3ITGA2B
SCHEMBL2074961 0.86 CTSK (0.50) NOD1CTSKCTSS
SCHEMBL5279118 0.86 CTSK (0.50) NOD1CTSKCTSS
SCHEMBL3629433 0.84 NOD1 (0.53) NOD1SIRT2SIRT1SLC6A5
SCHEMBL4364211 0.83 CTSK (0.45) CTSKCTSSITGB3ITGA2B
SCHEMBL1161276 0.83 CTSK (0.45) CTSKCTSSITGB3ITGA2B
SCHEMBL22804102 0.83 MEN1 (0.53) CTSKSIRT2SIRT1CTSS
SCHEMBL22804100 0.83 MEN1 (0.53) CTSKSIRT2SIRT1CTSS
SCHEMBL3625936 0.83 NOD1 (0.50) NOD1SIRT2SIRT1SLC6A5ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799803-B2 Hydroxamic acid compounds and methods of use thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-09-21 US disclosed
US-20070155785-A1 Hydroxamic acid compounds and methods of use thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-07-05 US disclosed
US-7199134-B2 Hydroxamic acid compounds and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2007-04-03 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-20070155785-A1 Hydroxamic acid compounds and methods of use thereof HDAC5, BRDT, HDAC1 NOD1 3525/4885CTSK 1702/4885SIRT2 156/4885

“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.