SCHEMBL31433181

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)[C@@H]1CCCN1C(=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 0.60

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	3/20	0.60

▸	CXCL8	P10145	5/20	0.54

▸	NMUR2	Q9GZQ4	3/20	0.54

▸	NMUR1	Q9HB89	2/20	0.54

▸	TFPI	P10646	4/20	0.54

▸	F2	P00734	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
SCHEMBL31433399	0.97	KEAP1 (0.61)	KEAP1NMUR2NMUR1TFPIF2
SCHEMBL31433324	0.92	OPRM1 (0.61)	KEAP1NMUR2NMUR1TFPI
SCHEMBL29755299	0.87	KEAP1 (0.58)	KEAP1NMUR2NMUR1F2
SCHEMBL30753165	0.86	BACE1 (0.54)	CXCL8NMUR2NMUR1
SCHEMBL30753164	0.84	NMUR2 (0.56)	CXCL8NMUR2NMUR1F2
SCHEMBL29679496	0.84	CALCR (0.61)	TFPIF2
SCHEMBL30431820	0.84	CALCR (0.60)	KEAP1F2
SCHEMBL29681572	0.84	OPRM1 (0.59)	CXCL8NMUR2NMUR1F2
SCHEMBL31332000	0.84	NMUR2 (0.61)	KEAP1CXCL8NMUR2NMUR1F2
SCHEMBL31281428	0.83	OPRM1 (0.60)	KEAP1NMUR2NMUR1F2

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 947/4885CXCL8 3338/4885NMUR2 3261/4885

“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.