SCHEMBL17898136

SCHEMBL17898136

COC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
DGAT1 O75907 1/20 0.33
CA7 P43166 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CTSK P43235 2/20 0.31
AAK1 Q2M2I8 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 1/20 0.30
PIK3CD O00329 1/20 0.30

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
SCHEMBL23342647 0.83 CA14 (0.36) CA14CA12CA1CA2DGAT1
SCHEMBL21974201 0.83 CTSK (0.38) CA14CA12CA1CA2DGAT1
SCHEMBL16547233 0.83 CA14 (0.35) CA14CA12CA1CA2DGAT1
SCHEMBL31757775 0.83 CA14 (0.34) CA14CA12CA1CA2DGAT1
SCHEMBL3099876 0.83 CA14 (0.34) CA14CA12CA1CA2DGAT1
SCHEMBL17898137 0.82 MEN1 (0.34) CA14CA12CA1CA2CA7
SCHEMBL10473405 0.82 MEN1 (0.34) CA14CA12CA1CA2CA7
SCHEMBL31757748 0.81 CA14 (0.33) CA14CA12CA1CA2DGAT1
SCHEMBL16547232 0.81 CA1 (0.34) CA14CA12CA1CA2DGAT1
SCHEMBL22562188 0.80 CA14 (0.33) CA14CA12CA1CA2DGAT1

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-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS RQX PHARMACEUTICALS, INC. 2016-07-07 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-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS ANPEP, NPEPPS, PEPD CA14 3895/4885CA12 3720/4885CA1 3783/4885

“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.