SCHEMBL18257586

CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(N)=O)CSCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCCN)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)C1C

nearest known ligand 0.61

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CD274	Q9NZQ7	8/20	0.61

▸	PDCD1	Q15116	6/20	0.58

▸	EPHA2	P29317	1/20	0.49

▸	KLKB1	P03952	4/20	0.49

▸	ACE	P12821	2/20	0.48

▸	ACE2	Q9BYF1	2/20	0.48

▸	NECTIN4	Q96NY8	1/20	0.47

▸	PCSK9	Q8NBP7	1/20	0.47

▸	TET2	Q6N021	1/20	0.47

▸	TET1	Q8NFU7	1/20	0.47

▸	CIB1	Q99828	1/20	0.46

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
SCHEMBL18257624	0.96	CD274 (0.64)	CD274PDCD1EPHA2KLKB1ACE
SCHEMBL19749429	0.96	CD274 (0.65)	CD274PDCD1EPHA2KLKB1ACE
SCHEMBL16128409	0.96	CD274 (0.65)	CD274PDCD1EPHA2KLKB1ACE
SCHEMBL17814980	0.96	CD274 (0.65)	CD274PDCD1EPHA2KLKB1ACE
SCHEMBL17815067	0.94	CD274 (0.65)	CD274PDCD1EPHA2KLKB1ACE
SCHEMBL19345123	0.94	CD274 (0.62)	CD274PDCD1EPHA2KLKB1ACE
SCHEMBL17815040	0.93	CD274 (0.65)	CD274PDCD1EPHA2KLKB1ACE
SCHEMBL17815072	0.93	CD274 (0.67)	CD274PDCD1EPHA2KLKB1ACE
SCHEMBL16127777	0.93	CD274 (0.67)	CD274PDCD1EPHA2KLKB1ACE
SCHEMBL17814996	0.93	CD274 (0.67)	CD274PDCD1EPHA2KLKB1ACE

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-20160340391-A1	Macrocyclic Inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 Protein/Protein Interactions	BRISTOL MYERS SQUIBB CO (US)	2016-11-24	—	—	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-20160340391-A1	Macrocyclic Inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 Protein/Protein Interactions	CD274, PDCD1, PDCD1LG2	CD274 1/4885PDCD1 2/4885EPHA2 3173/4885

“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.