SCHEMBL21908604

CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)NC(C/C(=C/NCCCCCNC(=O)CCC(=O)Oc2c(C)c(C)c3c(c2C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)N=N)C(N)=O)CSCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCCC2C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCCCN)C(=O)N2C[C@H](O)C[C@@]2(O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2cn(CC(=O)O)c3ccccc23)C(=O)N1C

nearest known ligand 0.42

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CD274	Q9NZQ7	8/20	0.42

▸	PDCD1	Q15116	6/20	0.40

▸	NECTIN4	Q96NY8	2/20	0.38

▸	ACE	P12821	2/20	0.37

▸	ACE2	Q9BYF1	2/20	0.37

▸	LDLR	P01130	4/20	0.37

▸	PCSK9	Q8NBP7	4/20	0.37

▸	EPHA2	P29317	2/20	0.37

▸	TNFRSF9	Q07011	1/20	0.36

▸	CIB1	Q99828	1/20	0.36

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
SCHEMBL20013160	1.00	CD274 (0.42)	CD274PDCD1NECTIN4ACEACE2
SCHEMBL20013154	0.95	CD274 (0.43)	CD274PDCD1NECTIN4ACEACE2
SCHEMBL21908407	0.93	CD274 (0.43)	CD274PDCD1NECTIN4ACEACE2
SCHEMBL22199764	0.90	CD274 (0.44)	CD274PDCD1NECTIN4ACEACE2
SCHEMBL22199497	0.89	CD274 (0.45)	CD274PDCD1NECTIN4ACEACE2
SCHEMBL20013175	0.87	CD274 (0.45)	CD274PDCD1NECTIN4EPHA2TNFRSF9
SCHEMBL22199653	0.86	CD274 (0.47)	CD274PDCD1NECTIN4ACEACE2
SCHEMBL22199763	0.86	CD274 (0.47)	CD274PDCD1NECTIN4ACEACE2
SCHEMBL20013349	0.84	CD274 (0.49)	CD274PDCD1LDLRPCSK9EPHA2
SCHEMBL22199641	0.82	CD274 (0.52)	CD274PDCD1NECTIN4ACEACE2

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-10633419-B2	Immunomodulators	BRISTOL-MYERS SQUIBB COMPANY (US)	2020-04-28	—	—	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-10633419-B2	Immunomodulators	CD74, ICOS, HAVCR2	CD274 36/4885PDCD1 79/4885NECTIN4 266/4885

“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.