SCHEMBL31433348

SCHEMBL31433348

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)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CALCR P30988 3/20 0.45
NTSR1 P30989 5/20 0.43
NTSR2 O95665 4/20 0.43
SORT1 Q99523 3/20 0.43
CAPN1 P07384 2/20 0.41
GRB2 P62993 1/20 0.41
APLNR P35414 1/20 0.41
NPY2R P49146 3/20 0.41
NPY4R P50391 3/20 0.41
NPY5R Q15761 3/20 0.41
NPY1R P25929 2/20 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
SCHEMBL31433333 0.98 CALCR (0.46) CALCRNTSR1NTSR2SORT1CAPN1
SCHEMBL31433277 0.93 CAPN1 (0.42) CALCRNTSR1CAPN1GRB2APLNR
SCHEMBL31433272 0.91 APLNR (0.50) CALCRAPLNRNPY2RNPY4RNPY5R
SCHEMBL31433187 0.91 MAPK8 (0.43) CALCRNTSR1NTSR2CAPN1GRB2
SCHEMBL31433197 0.91 MAPK8 (0.50) CALCRAPLNRNPY2RNPY4RNPY5R
SCHEMBL31433278 0.91 MAPK8 (0.50) CALCRAPLNRNPY2RNPY4RNPY5R
SCHEMBL31433388 0.90 APLNR (0.50) CALCRAPLNRNPY2RNPY4RNPY5R
SCHEMBL31433180 0.89 MAPK8 (0.50) CALCRAPLNRNPY2RNPY4RNPY5R
SCHEMBL31433297 0.89 MAPK8 (0.50) CALCRAPLNRNPY2RNPY4RNPY5R
SCHEMBL31433238 0.88 GRB2 (0.51) NTSR1NTSR2SORT1GRB2

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 CALCR 2817/4885NTSR1 2709/4885NTSR2 3066/4885

“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.