SCHEMBL14523652

SCHEMBL14523652

COC(=O)[C@H](Cc1cn(CC(=O)OC(C)(C)C)cn1)NP

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 8/20 0.41
CPB1 P15086 1/20 0.39
SIRT2 Q8IXJ6 11/20 0.38
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL14523654 0.84 CPB2 (0.44) CPB2CPB1SIRT2
SCHEMBL31006001 0.80 KDM4E (0.37) CPB2CPB1KDM4EALDH1A1
SCHEMBL27627317 0.80 ALDH1A1 (0.45) SIRT2ALDH1A1
SCHEMBL4418364 0.80 ALDH1A1 (0.45) SIRT2ALDH1A1
SCHEMBL24621004 0.75 KDM4E (0.39) CPB2CPB1KDM4EALDH1A1
SCHEMBL8347877 0.74 CPB2 (0.54) CPB2CPB1SIRT2
SCHEMBL23038508 0.74 KDM4E (0.38) CPB2CPB1KDM4EALDH1A1
SCHEMBL25836736 0.73 CA1 (0.42) KDM4EALDH1A1
SCHEMBL8349511 0.73 CPB2 (0.42) CPB2CPB1SIRT2
SCHEMBL30455998 0.71 CTSS (0.35) KDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8512675-B2 N and/or Nα derivatized, metal and organic protected L-histidine for coupling to biomolecules for highly efficient labeling with [M(OH2)3 (CO)3]+ by fac coordination MALLINCKRODT LLC (US) 2013-08-20 US disclosed
US-8512675-B2 N and/or Nα derivatized, metal and organic protected L-histidine for coupling to biomolecules for highly efficient labeling with [M(OH2)3 (CO)3]+ by fac coordination MALLINCKRODT LLC (US) 2013-08-20 US disclosed
US-20070077195-A1 \"N and/or nalpha derivatized, metal and organic protected l-histidine for coupling to biomolecules for highly efficient labeling with [m(oh2)3 (co)3]+ by fac coordination\ UNIVERSITY OF ZURICH (CH) 2007-04-05 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-20070077195-A1 \"N and/or nalpha derivatized, metal and organic protected l-histidine for coupling to biomolecules for highly efficient labeling with [m(oh2)3 (co)3]+ by fac coordination\ CPN1, NUCB2, NAA15 CPB2 376/4885CPB1 383/4885SIRT2 854/4885

“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.