SCHEMBL31433243

SCHEMBL31433243

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.52
XIAP P98170 1/20 0.44
DPP3 Q9NY33 2/20 0.41
APLNR P35414 1/20 0.40
NTSR2 O95665 4/20 0.40
NTSR1 P30989 4/20 0.40
ANPEP P15144 1/20 0.40
LNPEP Q9UIQ6 1/20 0.40
F2 P00734 1/20 0.39
SLC6A2 P23975 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
ACE P12821 2/20 0.39
SORT1 Q99523 1/20 0.39

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
SCHEMBL31433341 0.88 GRB2 (0.45) GRB2F2ACE
SCHEMBL30772337 0.84 GRB2 (0.54) GRB2XIAPAPLNRNTSR2NTSR1
SCHEMBL31433238 0.84 GRB2 (0.51) GRB2XIAPDPP3NTSR2NTSR1
SCHEMBL30674926 0.81 XIAP (0.47) GRB2XIAPDPP3OPRM1ACE
SCHEMBL31433231 0.81 FNTA (0.47) GRB2XIAPDPP3ANPEPLNPEP
SCHEMBL30131170 0.79 GRB2 (0.47) GRB2APLNRNTSR2NTSR1F2
SCHEMBL29758602 0.79 XIAP (0.51) GRB2XIAPF2SLC6A2OPRM1
SCHEMBL29802226 0.78 NTSR2 (0.47) GRB2NTSR2NTSR1F2OPRM1
SCHEMBL30844298 0.78 GRB2 (0.57) GRB2APLNRNTSR2NTSR1F2
SCHEMBL29801986 0.78 NTSR2 (0.49) GRB2NTSR2NTSR1F2OPRM1

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-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E CALICO LIFE SCIENCES LLC (US) 2025-03-06 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-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E MICA, CD74, HLA-DRB1 GRB2 843/4885XIAP 653/4885DPP3 882/4885

“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.