SCHEMBL16340685

SCHEMBL16340685

CCCCC[C@H](NC(=O)[C@@H](C)[C@@H](C)O)C(=O)N1CCCC1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.49
▸ CAPN1 P07384 6/20 0.44
▸ CTSB P07858 1/20 0.42
▸ NTSR2 O95665 3/20 0.39
▸ NTSR1 P30989 3/20 0.39
▸ XIAP P98170 1/20 0.39
▸ APLNR P35414 2/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ BDKRB2 P30411 1/20 0.38
▸ F2 P00734 1/20 0.37

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
SCHEMBL16340699 0.81 GRB2 (0.49) GRB2CAPN1CTSBNTSR2NTSR1
SCHEMBL16351201 0.78 GRB2 (0.47) GRB2CAPN1NTSR2NTSR1SLC6A2
SCHEMBL29801717 0.77 GRB2 (0.51) GRB2NTSR2NTSR1XIAPAPLNR
SCHEMBL29801939 0.77 ACE (0.50) GRB2NTSR2NTSR1XIAPF2
SCHEMBL29392602 0.77 GRB2 (0.66) GRB2CAPN1NTSR2NTSR1APLNR
SCHEMBL16351228 0.77 RAMP3 (0.41) GRB2CAPN1APLNR
SCHEMBL16351238 0.76 F2 (0.42) GRB2CAPN1CTSBNTSR2NTSR1
SCHEMBL13084631 0.76 GRB2 (0.50) GRB2CAPN1NTSR2NTSR1F2
SCHEMBL12261069 0.76 GRB2 (0.50) GRB2CAPN1NTSR2NTSR1F2
SCHEMBL12237919 0.76 GRB2 (0.50) GRB2CAPN1NTSR2NTSR1F2

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 GRB2 756/4885CAPN1 1439/4885CTSB 1312/4885

“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.

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