SCHEMBL31433254

SCHEMBL31433254

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.56
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ MAPK10 P53779 1/20 0.55
▸ NTSR1 P30989 3/20 0.53
▸ REN P00797 3/20 0.52
▸ CALCR P30988 2/20 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
SCHEMBL30812510 0.87 OPRD1 (0.56) OPRD1NTSR1REN
SCHEMBL30812505 0.86 OPRD1 (0.60) OPRD1NTSR1REN
SCHEMBL30812504 0.85 OPRD1 (0.60) OPRD1NTSR1REN
SCHEMBL31433218 0.84 OPRD1 (0.57) OPRD1CALCR
SCHEMBL30648479 0.84 CALCR (0.59) MAPK8MAPK9MAPK10CALCR
SCHEMBL29688342 0.83 CALCR (0.60) OPRD1MAPK8MAPK9MAPK10CALCR
SCHEMBL29707172 0.83 CALCR (0.62) OPRD1NTSR1CALCR
SCHEMBL31461943 0.83 OPRD1 (0.63) OPRD1NTSR1
SCHEMBL30304242 0.83 OPRD1 (0.60) OPRD1NTSR1CALCR
SCHEMBL31182798 0.82 CALCR (0.64) MAPK8MAPK9MAPK10CALCR

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 OPRD1 3640/4885MAPK8 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.

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