SCHEMBL31433368

SCHEMBL31433368

CSCC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.52
▸ NMUR2 Q9GZQ4 1/20 0.52
▸ NMUR1 Q9HB89 1/20 0.52
▸ CAPN1 P07384 4/20 0.52
▸ APLNR P35414 1/20 0.50
▸ CTSB P07858 2/20 0.49
▸ CTSD P07339 1/20 0.49
▸ CXCL8 P10145 3/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ OPRK1 P41145 1/20 0.48

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
SCHEMBL31433182 0.86 APLNR (0.56) NMUR2NMUR1APLNROPRM1OPRD1
SCHEMBL30412382 0.85 OPRM1 (0.54) RENAPLNRCXCL8OPRM1OPRD1
SCHEMBL31433370 0.85 CXCL8 (0.57) CAPN1CTSBCXCL8
SCHEMBL30158741 0.85 APLNR (0.54) NMUR2NMUR1APLNRCXCL8OPRM1
SCHEMBL30512680 0.82 CXCL8 (0.54) NMUR2NMUR1CXCL8
SCHEMBL21581733 0.81 OPRM1 (0.53) OPRM1OPRD1
SCHEMBL30431027 0.80 OPRM1 (0.61) NMUR2NMUR1OPRM1OPRD1OPRK1
SCHEMBL31717953 0.79 NTSR1 (0.56) RENOPRM1OPRD1
SCHEMBL31247408 0.79 SLC6A2 (0.55) NMUR2CAPN1CTSBOPRM1OPRD1
SCHEMBL30527820 0.79 SLC6A2 (0.58) RENNMUR2NMUR1OPRM1OPRD1

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 REN 3452/4885NMUR2 3261/4885NMUR1 3086/4885

“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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