SCHEMBL31433238

SCHEMBL31433238

CSCC[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](CCCCN)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.51
F2 P00734 1/20 0.45
ACE P12821 3/20 0.43
NTSR2 O95665 4/20 0.42
NTSR1 P30989 4/20 0.42
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
SORT1 Q99523 3/20 0.42
XIAP P98170 1/20 0.41
OPRM1 P35372 1/20 0.41
DPP3 Q9NY33 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
SCHEMBL30131170 0.95 GRB2 (0.47) GRB2F2ACENTSR2NTSR1
SCHEMBL31433252 0.93 GRB2 (0.50) GRB2F2ACENTSR2NTSR1
SCHEMBL29462926 0.89 GRB2 (0.54) GRB2F2ACENTSR2NTSR1
SCHEMBL31433231 0.89 FNTA (0.47) GRB2FNTAFNTBXIAPDPP3
SCHEMBL30772337 0.89 GRB2 (0.54) GRB2F2ACENTSR2NTSR1
SCHEMBL31433348 0.88 CALCR (0.45) GRB2NTSR2NTSR1SORT1
SCHEMBL31433333 0.87 CALCR (0.46) NTSR2NTSR1SORT1
SCHEMBL31232442 0.86 GRB2 (0.51) GRB2F2NTSR2NTSR1SORT1
SCHEMBL30239685 0.86 XIAP (0.47) GRB2F2NTSR2NTSR1SORT1
SCHEMBL31433173 0.85 ACE (0.44) GRB2F2ACE

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 843/4885F2 2732/4885ACE 2383/4885

“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.