SCHEMBL31199030

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CXCL8	P10145	10/20	0.57

▸	KEAP1	Q14145	1/20	0.55

▸	IL23R	Q5VWK5	1/20	0.54

▸	KISS1R	Q969F8	2/20	0.53

▸	CXCR4	P61073	1/20	0.53

▸	CALCR	P30988	1/20	0.52

▸	CCKBR	P32239	3/20	0.52

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
SCHEMBL16772154	0.89	IL23R (0.61)	IL23RKISS1RCCKBR
SCHEMBL30432624	0.86	NPY1R (0.61)	CXCL8KEAP1CALCR
SCHEMBL29456604	0.84	CALCR (0.54)	CXCL8KEAP1IL23RKISS1RCALCR
SCHEMBL30311133	0.84	KISS1R (0.58)	CXCL8KISS1RCXCR4CCKBR
SCHEMBL30648494	0.84	CALCR (0.65)	CXCL8KEAP1CXCR4CALCRCCKBR
SCHEMBL30310985	0.83	CXCL8 (0.61)	CXCL8KISS1RCCKBR
SCHEMBL30999521	0.82	CXCL8 (0.65)	CXCL8KEAP1KISS1R
SCHEMBL31182989	0.82	NPY1R (0.67)	CXCL8CALCR
SCHEMBL30607306	0.82	CALCR (0.63)	KEAP1CALCR
SCHEMBL30576953	0.82	KEAP1 (0.60)	CXCL8KEAP1CXCR4CALCR

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-20240376151-A1	STAPLED PEPTIDES AND METHODS THEREOF	PARABILIS MEDICINES, INC.	2024-11-14	—	—	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-20240376151-A1	STAPLED PEPTIDES AND METHODS THEREOF	VIP, IAPP, GLP1R	CXCL8 628/4885KEAP1 3129/4885IL23R 882/4885

“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.