SCHEMBL31433231

SCHEMBL31433231

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](CS)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.47
FNTB P49356 7/20 0.47
GRB2 P62993 1/20 0.47
PGGT1B P53609 2/20 0.42
DPP3 Q9NY33 3/20 0.42
XIAP P98170 1/20 0.41
SLC6A2 P23975 1/20 0.39
ANPEP P15144 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
NAA50 Q9GZZ1 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
SCHEMBL31433191 0.91 GRB2 (0.46) FNTAFNTBGRB2
SCHEMBL31433238 0.89 GRB2 (0.51) FNTAFNTBGRB2DPP3XIAP
SCHEMBL31433252 0.88 GRB2 (0.50) FNTAFNTBGRB2PGGT1BDPP3
SCHEMBL31433277 0.88 CAPN1 (0.42) FNTAFNTBGRB2SLC6A2NAA50
SCHEMBL31433173 0.87 ACE (0.44) GRB2NAA50
SCHEMBL31433233 0.87 MAPK8 (0.46) GRB2
SCHEMBL31433348 0.87 CALCR (0.45) GRB2
SCHEMBL31433274 0.87 APLNR (0.48) GRB2
SCHEMBL31433187 0.86 MAPK8 (0.43) FNTAFNTBGRB2NAA50
SCHEMBL31433289 0.86 MAPK8 (0.47)

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 FNTA 3629/4885FNTB 2486/4885GRB2 843/4885

“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.