SCHEMBL4936593

SCHEMBL4936593

CCC[C@@H](CC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.51
CTSS P25774 5/20 0.51
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CYP2D6 P10635 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1853923 1.00 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL9062184 1.00 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL3229583 0.89 CTSK (0.49) CTSKCTSS
SCHEMBL3213512 0.89 CTSK (0.49) CTSKCTSS
SCHEMBL28465534 0.88 CTSK (0.48) CTSKCTSS
SCHEMBL4935587 0.88 CTSK (0.48) CTSKCTSS
SCHEMBL28132863 0.88 CTSK (0.48) CTSKCTSS
SCHEMBL6684772 0.88 CA1 (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL13669545 0.88 CTSK (0.54) CTSKCTSSCA1CA2CA7
SCHEMBL29265449 0.87 CA1 (0.42) CTSKCTSSCA1CA2CA7

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-20080312080-A1 Novel dioctatin derivatives and production process thereof MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2008-12-18 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-20080312080-A1 Novel dioctatin derivatives and production process thereof AKR7A2, HDHD5, DECR1 CTSK 4665/4885CTSS 4683/4885CA1 169/4885

“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.