SCHEMBL13613755

SCHEMBL13613755

COC(=O)[C@H](C)NCCC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.44
CA14 Q9ULX7 2/20 0.44
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CA2 P00918 4/20 0.36
CA1 P00915 3/20 0.36
CA9 Q16790 2/20 0.36
CA7 P43166 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
EPHX1 P07099 1/20 0.33
CAPN1 P07384 1/20 0.33

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
SCHEMBL13613735 0.85 CAPN1 (0.44) CA12CA14MAOAMAOBKMT2A
SCHEMBL2153082 0.83 CA12 (0.50) CA12CA14MAOAMAOBKMT2A
SCHEMBL14206399 0.83 CA12 (0.50) CA12CA14MAOAMAOBKMT2A
SCHEMBL13613764 0.81 CAPN1 (0.44) CA12MAOAMAOBKMT2AMEN1
SCHEMBL13900864 0.80 CTSK (0.48) CA12CA14MAOAMAOBKMT2A
SCHEMBL8535486 0.80 TDP1 (0.53) CA12MAOAMAOBKMT2AMEN1
SCHEMBL3202642 0.79 CA14 (0.44) CA12CA14KMT2AMEN1GAA
SCHEMBL4342005 0.78 CAPN1 (0.47) MAOAMAOBKMT2AMEN1GAA
SCHEMBL16667763 0.76 CA12 (0.49) CA12CA14MAOAMAOBKMT2A
SCHEMBL24928346 0.75 MEN1 (0.46) MAOAMAOBKMT2AMEN1GAA

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 CA12 2437/4885CA14 1119/4885MAOA 4758/4885

“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.