SCHEMBL13613732

SCHEMBL13613732

C[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.34
NR1H2 P55055 1/20 0.32
FKBP1A P62942 1/20 0.32
FAAH O00519 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
GLS O94925 2/20 0.31
ALDH1A1 P00352 1/20 0.31
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL13613731 1.00 TOP2A (0.34) TOP2ANR1H2FKBP1AFAAHCHRM2
SCHEMBL26045071 1.00 TOP2A (0.34) TOP2ANR1H2FKBP1AFAAHCHRM2
SCHEMBL29580091 0.85 FKBP1A (0.31) TOP2ANR1H2FKBP1AFAAHCHRM2
SCHEMBL29580011 0.85 FKBP1A (0.31) TOP2ANR1H2FKBP1AFAAHCHRM2
SCHEMBL30337705 0.82 GAA (0.40) ALDH1A1
SCHEMBL7067181 0.81 SMYD2 (0.39)
SCHEMBL30683282 0.81 SMYD2 (0.39)
SCHEMBL7518554 0.81 SMYD2 (0.39)
SCHEMBL7063383 0.80 NR1H2 (0.43) NR1H2CHRM2CHRM1CHRM3
SCHEMBL12531098 0.80 NR1H2 (0.43) NR1H2CHRM2CHRM1CHRM3

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-20090275727-A1 Peptide turn mimetics MIMETICA PTY LIMITED (AU) 2009-11-05 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-20090275727-A1 Peptide turn mimetics IAPP, GLP1R, VIP TOP2A 3520/4885NR1H2 2948/4885FKBP1A 2350/4885

“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.