SCHEMBL31433242

SCHEMBL31433242

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
MAPK10 P53779 1/20 0.50
CALCRL Q16602 3/20 0.49
APLNR P35414 1/20 0.49
CALCR P30988 3/20 0.48
REN P00797 2/20 0.48
DPP3 Q9NY33 1/20 0.47
NTSR1 P30989 5/20 0.47
NTSR2 O95665 4/20 0.47
NMUR2 Q9GZQ4 1/20 0.46
NMUR1 Q9HB89 1/20 0.46
SORT1 Q99523 3/20 0.46
KEAP1 Q14145 1/20 0.46

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
SCHEMBL31433293 0.93 MAPK8 (0.58) MAPK8MAPK9MAPK10APLNRCALCR
SCHEMBL31433236 0.92 MAPK8 (0.58) MAPK8MAPK9MAPK10APLNRCALCR
SCHEMBL31433187 0.91 MAPK8 (0.43) MAPK8MAPK9MAPK10CALCRLAPLNR
SCHEMBL31433369 0.90 APLNR (0.59) MAPK8MAPK9MAPK10APLNRNTSR1
SCHEMBL31433344 0.89 MAPK8 (0.62) SLC6A2MAPK8MAPK9MAPK10APLNR
SCHEMBL31433244 0.89 APLNR (0.58) MAPK8MAPK9MAPK10APLNRNMUR2
SCHEMBL31433333 0.89 CALCR (0.46) MAPK8MAPK9MAPK10APLNRCALCR
SCHEMBL31433277 0.89 CAPN1 (0.42) SLC6A2MAPK8MAPK9MAPK10CALCRL
SCHEMBL31433348 0.87 CALCR (0.45) APLNRCALCRNTSR1NTSR2SORT1
SCHEMBL26886995 0.87 SLC6A2 (0.45) SLC6A2CALCRLAPLNRCALCRREN

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 SLC6A2 4672/4885MAPK8 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.