SCHEMBL31433341

SCHEMBL31433341

CCCC[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 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.45
ACE P12821 11/20 0.45
REN P00797 4/20 0.45
LMNA P02545 2/20 0.43
ACE2 Q9BYF1 2/20 0.43
TGM2 P21980 1/20 0.43
KDM4E B2RXH2 1/20 0.43
F2 P00734 1/20 0.43
LTA4H P09960 1/20 0.43
MAPT P10636 1/20 0.43
PEPD P12955 1/20 0.43
ALOX15 P16050 1/20 0.43
PTGS1 P23219 1/20 0.43
HTR2A P28223 1/20 0.43
PTGS2 P35354 1/20 0.43
HRH1 P35367 1/20 0.43
THPO P40225 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL31433243 0.88 GRB2 (0.52) GRB2ACEF2
SCHEMBL30051675 0.87 ACE (0.51) ACERENLMNAACE2KDM4E
SCHEMBL31433173 0.87 ACE (0.44) GRB2ACERENLMNAACE2
SCHEMBL38665570 0.86 ACE (0.45) ACERENLMNAACE2KDM4E
SCHEMBL30284899 0.85 ACE (0.49) ACERENLMNAACE2KDM4E
SCHEMBL29801987 0.82 ACE (0.52) ACEREN
SCHEMBL29802427 0.82 ACE (0.52) ACEREN
SCHEMBL30490558 0.82 ACE (0.50) GRB2ACEREN
SCHEMBL29802076 0.82 ACE (0.51) ACEREN
SCHEMBL29630720 0.81 ACE (0.48) ACERENLMNAACE2KDM4E

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 843/4885ACE 2383/4885REN 3452/4885

“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.