SCHEMBL31433173

SCHEMBL31433173

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.44
REN P00797 4/20 0.44
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
F2 P00734 1/20 0.42
LTA4H P09960 1/20 0.42
MAPT P10636 1/20 0.42
PEPD P12955 1/20 0.42
ALOX15 P16050 1/20 0.42
PTGS1 P23219 1/20 0.42
HTR2A P28223 1/20 0.42
PTGS2 P35354 1/20 0.42
HRH1 P35367 1/20 0.42
THPO P40225 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
GRB2 P62993 1/20 0.41
NAA50 Q9GZZ1 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
SCHEMBL30052416 0.92 ACE (0.47) ACERENLMNAKDM4EF2
SCHEMBL31433231 0.87 FNTA (0.47) GRB2NAA50
SCHEMBL31433341 0.87 GRB2 (0.45) ACERENLMNAKDM4EF2
SCHEMBL30051675 0.86 ACE (0.51) ACERENLMNAKDM4EF2
SCHEMBL38665570 0.85 ACE (0.45) ACERENLMNAKDM4EF2
SCHEMBL30051485 0.85 ACE (0.49) ACERENLMNAKDM4EF2
SCHEMBL31433238 0.85 GRB2 (0.51) ACEF2GRB2
SCHEMBL30658554 0.85 ACE (0.49) ACERENLMNAKDM4EF2
SCHEMBL30284899 0.84 ACE (0.49) ACERENLMNAKDM4EF2
SCHEMBL30051793 0.83 ACE (0.49) ACERENLMNAKDM4EF2

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 ACE 2383/4885REN 3452/4885LMNA 3512/4885

“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.