SCHEMBL31433275

SCHEMBL31433275

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 5/20 0.52
▸ APLNR P35414 1/20 0.50
▸ PLK1 P53350 1/20 0.47
▸ OPRM1 P35372 6/20 0.47
▸ OPRK1 P41145 6/20 0.47
▸ CTSB P07858 1/20 0.47
▸ RAMP3 O60896 3/20 0.47
▸ CALCR P30988 3/20 0.47
▸ NMUR2 Q9GZQ4 1/20 0.46
▸ NMUR1 Q9HB89 1/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ EPHA2 P29317 2/20 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
SCHEMBL31433176 0.99 CAPN1 (0.52) CAPN1APLNRPLK1OPRM1OPRK1
SCHEMBL31433171 0.91 CAPN1 (0.49) CAPN1APLNRPLK1OPRM1OPRK1
SCHEMBL29421085 0.88 RAMP3 (0.49) CAPN1APLNRPLK1OPRM1OPRK1
SCHEMBL29421104 0.88 RAMP3 (0.49) CAPN1APLNRPLK1OPRM1OPRK1
SCHEMBL31433268 0.87 RAMP3 (0.55) APLNRRAMP3CALCRNMUR2NMUR1
SCHEMBL31433260 0.86 RAMP3 (0.55) APLNRRAMP3CALCRNMUR2NMUR1
SCHEMBL31433204 0.85 OPRM1 (0.49) APLNROPRM1OPRK1RAMP3CALCR
SCHEMBL29421084 0.83 OPRM1 (0.52) OPRM1OPRK1RAMP3CALCRNMUR2
SCHEMBL29611971 0.81 CAPN1 (0.54) CAPN1OPRM1OPRK1CTSBRAMP3
SCHEMBL28076148 0.81 KEAP1 (0.48) APLNROPRM1OPRK1RAMP3CALCR

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 CAPN1 3160/4885APLNR 2565/4885PLK1 2293/4885

“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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