SCHEMBL4946515

SCHEMBL4946515

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.47
CAPN1 P07384 3/20 0.45
NTSR2 O95665 10/20 0.44
NTSR1 P30989 10/20 0.44
SORT1 Q99523 10/20 0.44
CXCL8 P10145 3/20 0.43
NAA50 Q9GZZ1 1/20 0.43

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
SCHEMBL4946505 1.00 GRB2 (0.47) GRB2CAPN1NTSR2NTSR1SORT1
SCHEMBL4946926 0.94 GRB2 (0.49) GRB2CAPN1CXCL8
SCHEMBL4946938 0.94 GRB2 (0.49) GRB2CAPN1CXCL8
SCHEMBL29575751 0.86 NTSR2 (0.46) GRB2CAPN1NTSR2NTSR1SORT1
SCHEMBL29498761 0.86 KMT2A (0.46) NTSR2NTSR1SORT1
SCHEMBL29470192 0.86 ACE (0.50) NTSR2NTSR1SORT1
SCHEMBL30435240 0.85 NTSR2 (0.46) GRB2NTSR2NTSR1SORT1
SCHEMBL30987363 0.85 NMUR2 (0.41) GRB2CAPN1NTSR2NTSR1SORT1
SCHEMBL30830432 0.84 FNTA (0.44) GRB2NTSR2NTSR1SORT1
SCHEMBL30059762 0.84 SLC6A2 (0.50) GRB2CAPN1NTSR1NAA50

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-7470776-B2 Glycosulfopeptide inhibitors of leukocyte rolling and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2008-12-30 US disclosed
US-20070167356-A1 Glycosulfopeptide inhibitors of leukocyte rolling and methods of use thereof CUMMINGS RICHARD D 2007-07-19 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-20070167356-A1 Glycosulfopeptide inhibitors of leukocyte rolling and methods of use thereof SIGLEC7, SIGLEC9, SELL GRB2 321/4885CAPN1 3917/4885NTSR2 358/4885

“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.