SCHEMBL31433277

SCHEMBL31433277

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](C)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 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
CALCR P30988 6/20 0.41
CALCRL Q16602 1/20 0.40
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
CTSD P07339 2/20 0.40
BACE1 P56817 2/20 0.40
NAA50 Q9GZZ1 1/20 0.40
NTSR1 P30989 1/20 0.39
RAMP3 O60896 3/20 0.39
GRB2 P62993 1/20 0.39
SLC6A2 P23975 1/20 0.39
APLNR P35414 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
SCHEMBL31433187 0.98 MAPK8 (0.43) CAPN1MAPK8MAPK9MAPK10CALCR
SCHEMBL31433348 0.93 CALCR (0.45) CAPN1CALCRNTSR1GRB2APLNR
SCHEMBL31433333 0.91 CALCR (0.46) CAPN1MAPK8MAPK9MAPK10CALCR
SCHEMBL31433278 0.90 MAPK8 (0.50) MAPK8MAPK9MAPK10CALCRRAMP3
SCHEMBL31433197 0.90 MAPK8 (0.50) MAPK8MAPK9MAPK10CALCRRAMP3
SCHEMBL31433272 0.89 APLNR (0.50) MAPK8MAPK9MAPK10CALCRRAMP3
SCHEMBL31433470 0.89 MAPK8 (0.51) MAPK8MAPK9MAPK10CALCRRAMP3
SCHEMBL31433242 0.89 SLC6A2 (0.52) MAPK8MAPK9MAPK10CALCRCALCRL
SCHEMBL31433231 0.88 FNTA (0.47) FNTAFNTBNAA50GRB2SLC6A2
SCHEMBL31433180 0.88 MAPK8 (0.50) MAPK8MAPK9MAPK10CALCRRAMP3

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 CAPN1 3160/4885MAPK8 4358/4885MAPK9 3139/4885

“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.