SCHEMBL6860015

SCHEMBL6860015

CCCC[C@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.46
CA1 P00915 4/20 0.46
CTSK P43235 6/20 0.43
MAPK1 P28482 1/20 0.41
CTSS P25774 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 1/20 0.37
BIRC2 Q13490 1/20 0.37

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
SCHEMBL8258147 0.90 CA2 (0.61) CA2CA1CTSKMAPK1CTSS
SCHEMBL25670282 0.87 CA2 (0.53) CA2CA1CTSKMAPK1CTSS
SCHEMBL15116512 0.86 CTSK (0.43) CA2CA1CTSKMAPK1CTSS
SCHEMBL1915653 0.86 CA2 (0.55) CA2CA1CTSKMAPK1CTSS
SCHEMBL28486916 0.86 CA2 (0.46) CA2CA1CTSKMAPK1CTSS
SCHEMBL1915651 0.86 CA2 (0.55) CA2CA1CTSKMAPK1CTSS
SCHEMBL24360474 0.83 CA2 (0.50) CA2CA1CTSKMAPK1CTSS
Potassium SCHEMBL30493921 0.83 CA2 (0.66) CA2CA1CTSKMAPK1CTSS
SCHEMBL20002265 0.83 CA2 (0.50) CA2CA1CTSKMAPK1CTSS
SCHEMBL4458553 0.83 CA2 (0.50) CA2CA1CTSKMAPK1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797820-B2 HYDROXAMATE DERIVATIVES THAT INHIBIT PEPTIDYL DEFORMYLASE (PDF), ANTIMICROBIALS AND ANTIBIOTICS VICURON PHARMACEUTICALS INC. 2004-09-28 US disclosed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 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-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation PDF, MMP2, SDHA CA2 2344/4885CA1 2797/4885CTSK 165/4885

“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.