SCHEMBL16338919

SCHEMBL16338919

CC(O)C(N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCCC1C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.44
▸ GRB2 P62993 1/20 0.43
▸ CAPN1 P07384 6/20 0.42
▸ CTSB P07858 1/20 0.41
▸ PREP P48147 2/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ ELANE P08246 2/20 0.39
▸ CMA1 P23946 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ DPP3 Q9NY33 1/20 0.36
▸ FAP Q12884 1/20 0.36
▸ ACE P12821 3/20 0.36
▸ XPNPEP2 O43895 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
SCHEMBL16351007 1.00 XIAP (0.44) XIAPGRB2CAPN1CTSBPREP
SCHEMBL16330333 1.00 XIAP (0.44) XIAPGRB2CAPN1CTSBPREP
SCHEMBL16351062 0.96 XIAP (0.47) XIAPGRB2PREPDPP4DPP7
SCHEMBL16339217 0.96 XIAP (0.47) XIAPGRB2PREPDPP4DPP7
SCHEMBL16330317 0.96 XIAP (0.47) XIAPGRB2PREPDPP4DPP7
SCHEMBL29530598 0.87 XIAP (0.53) XIAPCAPN1CTSBPREPDPP4
SCHEMBL29655765 0.86 DPP4 (0.52) XIAPGRB2PREPDPP4DPP7
SCHEMBL10749197 0.85 XIAP (0.49) XIAPPREPDPP4DPP7ELANE
SCHEMBL10749206 0.85 XIAP (0.49) XIAPPREPDPP4DPP7ELANE
SCHEMBL29630574 0.84 CAPN1 (0.49) XIAPGRB2CAPN1CTSBSLC6A2

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-20120315220-A1 Compounds for Targeting Endothelial Cells, Compositions Containing the Same and Methods for Their Use BRACCO SUISSE S.A. (CH) 2012-12-13 — — 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-20120315220-A1 Compounds for Targeting Endothelial Cells, Compositions Containing the Same and Methods for Their Use VCAM1, FLT1, EDNRA XIAP 2140/4885GRB2 756/4885CAPN1 1439/4885

“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.

Send feedback