SCHEMBL16340699

SCHEMBL16340699

CCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CS)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 0.46
▸ SLC6A2 P23975 1/20 0.45
▸ NTSR1 P30989 3/20 0.44
▸ NTSR2 O95665 2/20 0.44
▸ CTSB P07858 1/20 0.41
▸ NMUR2 Q9GZQ4 1/20 0.41
▸ NMUR1 Q9HB89 1/20 0.41
▸ AGTR1 P30556 1/20 0.41
▸ AGTR2 P50052 1/20 0.41

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
SCHEMBL16351201 0.96 GRB2 (0.47) GRB2CAPN1SLC6A2NTSR1NTSR2
SCHEMBL16351063 0.93 GRB2 (0.47) GRB2CAPN1SLC6A2NTSR1NTSR2
SCHEMBL12237948 0.87 CXCR4 (0.49) GRB2CAPN1
SCHEMBL16340685 0.81 GRB2 (0.49) GRB2CAPN1SLC6A2NTSR1NTSR2
SCHEMBL29506907 0.81 SLC6A2 (0.53) SLC6A2NTSR1NTSR2NMUR2NMUR1
SCHEMBL24485881 0.79 MAPK8 (0.46) —
SCHEMBL29629087 0.79 MAPK8 (0.46) —
SCHEMBL31049828 0.79 F2 (0.41) GRB2CAPN1CTSBNMUR2NMUR1
SCHEMBL31542148 0.79 NTSR2 (0.52) CAPN1SLC6A2NTSR1NTSR2CTSB
SCHEMBL31542147 0.78 NTSR2 (0.51) CAPN1SLC6A2NTSR1NTSR2CTSB

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-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
US-7884183-B2 also targeting tumor cells that express vascular endothelial growth factor neuropilin-1 receptor; radiotherapy; radiopharmaceuticals; treating angiogenesis BRACCO SUISSE SA (CH) 2011-02-08 — — US disclosed
US-7820621-B2 Compounds for targeting endothelial cells, compositions containing the same and methods for their use BRACCO INTERNATIONAL B.V. (NL) 2010-10-26 — — 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 1439/4885SLC6A2 3016/4885

“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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