SCHEMBL31433314

SCHEMBL31433314

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

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ IL23R Q5VWK5 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ TFPI P10646 1/20 0.45

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
SCHEMBL31433305 0.93 OPRM1 (0.47) OPRM1OPRD1OPRK1CTSB
SCHEMBL31433308 0.93 IL23R (0.50) OPRM1OPRD1OPRK1IL23R
SCHEMBL31433189 0.92 IL23R (0.53) IL23R
SCHEMBL31433319 0.89 IL23R (0.52) IL23RTFPI
SCHEMBL30432263 0.85 CCKBR (0.52) IL23R
SCHEMBL31433367 0.85 OPRM1 (0.49) OPRM1OPRD1OPRK1CTSBTFPI
SCHEMBL31433365 0.84 TFPI (0.54) IL23RTFPI
SCHEMBL31433357 0.84 TFPI (0.54) OPRM1OPRD1OPRK1IL23RTFPI
SCHEMBL29831896 0.84 IL23R (0.55) OPRM1OPRD1OPRK1IL23RTFPI
SCHEMBL31433403 0.84 OPRM1 (0.49) OPRM1OPRD1OPRK1

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 OPRM1 2906/4885OPRD1 3640/4885OPRK1 2687/4885

“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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