Elatipepimut-S

SCHEMBL29966863

CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	6/20	0.66

▸	NPY1R	P25929	1/20	0.61

▸	NPY2R	P49146	1/20	0.61

▸	NPY4R	P50391	1/20	0.61

▸	NPY5R	Q15761	1/20	0.61

▸	CXCL8	P10145	5/20	0.60

▸	GLP1R	P43220	3/20	0.60

▸	GCGR	P47871	3/20	0.60

▸	KEAP1	Q14145	1/20	0.58

▸	CTSL	P07711	1/20	0.57

▸	CTSH	P09668	1/20	0.57

▸	CTSS	P25774	1/20	0.57

▸	CTSK	P43235	1/20	0.57

▸	IL23R	Q5VWK5	1/20	0.57

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
SCHEMBL29552852	0.90	KISS1R (0.68)	KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL34470137	0.89	KISS1R (0.67)	KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31182936	0.88	NPY2R (0.68)	KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30786585	0.88	KISS1R (0.68)	KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL29815129	0.88	KISS1R (0.67)	KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL29649247	0.88	NPY1R (0.65)	KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30786596	0.88	CXCR4 (0.64)	KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30786584	0.88	CXCR4 (0.64)	KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30992038	0.87	CTSL (0.59)	KISS1RCXCL8KEAP1CTSLCTSH
SCHEMBL31419719	0.87	NPY1R (0.62)	NPY1RNPY2RNPY4RNPY5RCXCL8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20220332823-A1	METHODS OF TREATING CANCER	JOUNCE THERAPEUTICS, INC.	2022-10-20	—	—	US	disclosed
US-20220289847-A1	METHODS FOR THE TREATMENT OF CANCER	JOUNCE THERAPEUTICS, INC.	2022-09-15	—	—	US	disclosed