SCHEMBL12989759

SCHEMBL12989759

CC(C)SC[C@H](NC(=O)C(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 17/20 0.48

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
SCHEMBL25950515 0.85 NOD1 (0.50) ACE
SCHEMBL8419719 0.84 ACE (0.46) ACE
SCHEMBL8416400 0.84 ACE (0.46) ACE
SCHEMBL8416407 0.84 ACE (0.46) ACE
SCHEMBL15432520 0.84 ACE (0.46) ACE
SCHEMBL13988071 0.82 ALDH1A1 (0.57) ACE
SCHEMBL16259017 0.82 ALDH1A1 (0.57) ACE
SCHEMBL20287636 0.79 ACE (0.44) ACE
SCHEMBL9623845 0.79 ACE (0.42) ACE
SCHEMBL8580626 0.79 ACE (0.42) ACE

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-20100311175-A1 MASS TAGS FOR QUANTITATIVE ANALYSES Life Technologies Corporation (US) 2010-12-09 — — 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-20100311175-A1 MASS TAGS FOR QUANTITATIVE ANALYSES SRMS, PTMS, TMT1A ACE 2107/4885

“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.

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