SCHEMBL31433170

SCHEMBL31433170

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.57
MAPK8 P45983 1/20 0.57
MAPK9 P45984 1/20 0.57
MAPK10 P53779 1/20 0.57
CALCRL Q16602 3/20 0.56
EPHA2 P29317 2/20 0.54
OPRM1 P35372 7/20 0.54
OPRK1 P41145 7/20 0.54
RAMP3 O60896 4/20 0.51
CALCR P30988 4/20 0.51
SLC6A2 P23975 1/20 0.51

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
SCHEMBL30498507 0.93 EPHA2 (0.60) APLNRMAPK8MAPK9MAPK10CALCRL
SCHEMBL32681794 0.92 EPHA2 (0.57) APLNRMAPK8MAPK9MAPK10CALCRL
SCHEMBL31433207 0.91 APLNR (0.53) APLNRMAPK8MAPK9MAPK10RAMP3
SCHEMBL31433229 0.91 MAPK8 (0.58) APLNRMAPK8MAPK9MAPK10OPRM1
SCHEMBL30498506 0.89 EPHA2 (0.58) APLNRCALCRLEPHA2OPRM1OPRK1
SCHEMBL31433236 0.89 MAPK8 (0.58) APLNRMAPK8MAPK9MAPK10OPRM1
SCHEMBL30438334 0.89 MAPK8 (0.61) APLNRMAPK8MAPK9MAPK10EPHA2
SCHEMBL31433369 0.88 APLNR (0.59) APLNRMAPK8MAPK9MAPK10OPRM1
SCHEMBL29949455 0.88 CALCR (0.57) EPHA2RAMP3CALCR
SCHEMBL31433293 0.88 MAPK8 (0.58) APLNRMAPK8MAPK9MAPK10OPRM1

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 APLNR 2565/4885MAPK8 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.