SCHEMBL31433301

SCHEMBL31433301

CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.60
▸ NMBR P28336 2/20 0.60
▸ GRPR P30550 2/20 0.60
▸ IL23R Q5VWK5 1/20 0.55
▸ CXCR4 P61073 4/20 0.54
▸ APLNR P35414 1/20 0.53
▸ CTSL P07711 1/20 0.53
▸ CTSS P25774 1/20 0.53
▸ CTSK P43235 1/20 0.53
▸ GLP1R P43220 5/20 0.53
▸ CCKBR P32239 2/20 0.53
▸ GCGR P47871 3/20 0.53
▸ CALCR P30988 2/20 0.52

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
SCHEMBL31295729 0.90 NMBR (0.63) C5AR1NMBRGRPRCXCR4GLP1R
SCHEMBL31433256 0.87 IL23R (0.62) C5AR1IL23RCXCR4CALCR
SCHEMBL29793968 0.87 C5AR1 (0.67) C5AR1NMBRGRPRCXCR4APLNR
SCHEMBL31433346 0.86 CXCR4 (0.59) C5AR1GRPRIL23RCXCR4APLNR
SCHEMBL31182675 0.86 CALCR (0.65) C5AR1NMBRGRPRCXCR4GLP1R
SCHEMBL30431758 0.85 C5AR1 (0.69) C5AR1NMBRGRPRCXCR4GLP1R
SCHEMBL31433384 0.85 C5AR1 (0.56) C5AR1IL23RCXCR4APLNRCTSL
SCHEMBL30881892 0.85 C5AR1 (0.70) C5AR1IL23RCXCR4GLP1RGCGR
SCHEMBL30436336 0.85 CXCR4 (0.65) C5AR1NMBRGRPRCXCR4GLP1R
SCHEMBL30262181 0.84 CXCR4 (0.60) C5AR1IL23RCXCR4GLP1R

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 C5AR1 1505/4885NMBR 379/4885GRPR 564/4885

“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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