SCHEMBL13613764

SCHEMBL13613764

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
NPSR1 Q6W5P4 4/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TDP1 Q9NUW8 6/20 0.41
POLB P06746 2/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 1/20 0.36
XBP1 P17861 1/20 0.36
RECQL P46063 1/20 0.36
MAOA P21397 1/20 0.36

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 0.93 CAPN1 (0.44) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL4342005 0.89 CAPN1 (0.47) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL13613755 0.81 CA12 (0.44) CAPN1CTSSCTSKNPSR1MEN1
SCHEMBL23332641 0.79 CTSL (0.50) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL8535486 0.77 TDP1 (0.53) NPSR1MAPTMEN1KMT2ATDP1
SCHEMBL7460122 0.77 CTSL (0.48) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL29196456 0.77 NPSR1 (0.43) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL29196459 0.77 NPSR1 (0.43) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL24928346 0.76 MEN1 (0.46) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL13900864 0.75 CTSK (0.48) CAPN1CTSSCTSKMEN1KMT2A

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-20090275727-A1 Peptide turn mimetics MIMETICA PTY LIMITED (AU) 2009-11-05 US disclosed
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 CAPN1 4410/4885CTSL 436/4885CTSB 1186/4885

“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.