SCHEMBL31433320

SCHEMBL31433320

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 2/20 0.45
▸ NMT2 O60551 1/20 0.44
▸ NMT1 P30419 1/20 0.44
▸ PRSS1 P07477 1/20 0.43
▸ CTSB P07858 1/20 0.41
▸ OPRM1 P35372 2/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ TFPI P10646 1/20 0.39
▸ OPRK1 P41145 1/20 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
SCHEMBL31433226 0.93 TFPI (0.48) FURINNMT2NMT1PRSS1TFPI
SCHEMBL29419675 0.84 NMT1 (0.47) NMT2NMT1
SCHEMBL31433367 0.84 OPRM1 (0.49) CTSBOPRM1OPRD1TFPIOPRK1
SCHEMBL9388801 0.83 FURIN (0.48) FURINNMT2NMT1PRSS1OPRM1
SCHEMBL9388806 0.83 FURIN (0.48) FURINNMT2NMT1PRSS1OPRM1
SCHEMBL31433335 0.83 IL23R (0.48) —
SCHEMBL31433466 0.83 NPBWR1 (0.51) OPRM1OPRD1TFPIOPRK1
SCHEMBL30753565 0.83 NMT1 (0.54) NMT2NMT1
SCHEMBL30973979 0.82 NMT1 (0.47) FURINNMT2NMT1OPRM1OPRD1
SCHEMBL30636808 0.82 NMT1 (0.53) FURINNMT2NMT1OPRM1OPRD1

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 FURIN 1283/4885NMT2 1434/4885NMT1 1235/4885

“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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