SCHEMBL31433191

SCHEMBL31433191

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](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.46
APLNR P35414 1/20 0.46
CTSL P07711 3/20 0.45
CTSS P25774 3/20 0.45
CTSK P43235 3/20 0.45
CTSH P09668 1/20 0.45
FNTA P49354 3/20 0.41
FNTB P49356 3/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
OPRM1 P35372 7/20 0.40
OPRK1 P41145 7/20 0.40
EPHA2 P29317 2/20 0.40
RAMP3 O60896 2/20 0.39
CALCR P30988 2/20 0.39

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
SCHEMBL31433274 0.95 APLNR (0.48) GRB2APLNRCTSLCTSSCTSK
SCHEMBL31433233 0.95 MAPK8 (0.46) GRB2APLNRCTSLCTSSCTSK
SCHEMBL31433289 0.94 MAPK8 (0.47) APLNRCTSLCTSSCTSKCTSH
SCHEMBL31433199 0.93 APLNR (0.49) GRB2APLNRCTSLCTSSCTSK
SCHEMBL31433278 0.92 MAPK8 (0.50) APLNRMAPK8MAPK9MAPK10RAMP3
SCHEMBL31433197 0.92 MAPK8 (0.50) APLNRMAPK8MAPK9MAPK10RAMP3
SCHEMBL31433231 0.91 FNTA (0.47) GRB2FNTAFNTB
SCHEMBL31433272 0.91 APLNR (0.50) APLNRMAPK8MAPK9MAPK10RAMP3
SCHEMBL31433180 0.91 MAPK8 (0.50) APLNRMAPK8MAPK9MAPK10RAMP3
SCHEMBL31433297 0.91 MAPK8 (0.50) APLNRMAPK8MAPK9MAPK10RAMP3

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 GRB2 843/4885APLNR 2565/4885CTSL 588/4885

“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.