SCHEMBL31433252

SCHEMBL31433252

CSCC[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.50
FNTA P49354 5/20 0.47
FNTB P49356 5/20 0.47
F2 P00734 1/20 0.44
NTSR2 O95665 3/20 0.43
NTSR1 P30989 3/20 0.43
ACE P12821 2/20 0.42
PGGT1B P53609 1/20 0.42
DPP3 Q9NY33 1/20 0.42
SORT1 Q99523 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
SCHEMBL31433238 0.93 GRB2 (0.51) GRB2FNTAFNTBF2NTSR2
SCHEMBL29462926 0.89 GRB2 (0.54) GRB2F2NTSR2NTSR1ACE
SCHEMBL31433231 0.88 FNTA (0.47) GRB2FNTAFNTBPGGT1BDPP3
SCHEMBL30131170 0.88 GRB2 (0.47) GRB2FNTAFNTBF2NTSR2
SCHEMBL30239685 0.87 XIAP (0.47) GRB2F2NTSR2NTSR1SORT1
SCHEMBL31433348 0.87 CALCR (0.45) GRB2NTSR2NTSR1SORT1
SCHEMBL30772337 0.87 GRB2 (0.54) GRB2F2NTSR2NTSR1ACE
SCHEMBL31433333 0.86 CALCR (0.46) NTSR2NTSR1SORT1
SCHEMBL414730 0.86 NTSR2 (0.48) NTSR2NTSR1SORT1
SCHEMBL414731 0.86 NTSR2 (0.48) NTSR2NTSR1SORT1

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 843/4885FNTA 3629/4885FNTB 2486/4885

“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.