SCHEMBL31433399

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	5/20	0.61

▸	NMUR2	Q9GZQ4	3/20	0.55

▸	NMUR1	Q9HB89	2/20	0.55

▸	F2	P00734	4/20	0.55

▸	TFPI	P10646	2/20	0.54

▸	OPRM1	P35372	3/20	0.54

▸	OPRD1	P41143	3/20	0.54

▸	OPRK1	P41145	2/20	0.54

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.

Compound	similarity	top predicted	shared targets
SCHEMBL31433181	0.97	KEAP1 (0.60)	KEAP1NMUR2NMUR1F2TFPI
SCHEMBL31433324	0.93	OPRM1 (0.61)	KEAP1NMUR2NMUR1TFPIOPRM1
SCHEMBL29755299	0.88	KEAP1 (0.58)	KEAP1NMUR2NMUR1F2OPRM1
SCHEMBL29410248	0.85	NPY2R (0.62)	NMUR2NMUR1F2OPRM1OPRD1
SCHEMBL30431820	0.85	CALCR (0.60)	KEAP1F2OPRM1OPRD1OPRK1
SCHEMBL29681572	0.85	OPRM1 (0.59)	NMUR2NMUR1F2OPRM1OPRD1
SCHEMBL31332000	0.85	NMUR2 (0.61)	KEAP1NMUR2NMUR1F2OPRM1
SCHEMBL31281428	0.83	OPRM1 (0.60)	KEAP1NMUR2NMUR1F2OPRM1
SCHEMBL30102155	0.83	OPRD1 (0.55)	KEAP1NMUR2NMUR1OPRM1OPRD1
SCHEMBL31126302	0.83	CAPN1 (0.49)	KEAP1NMUR2NMUR1TFPI

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20250074942-A1	COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E	MICA, CD74, HLA-DRB1	KEAP1 947/4885NMUR2 3261/4885NMUR1 3086/4885

“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.