SCHEMBL20010074

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCN/C=C(/C[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)N[C@@H](Cc2cc(F)c(F)c(F)c2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CCCC)C(=O)N2C[C@H](O)C[C@@H]2C(=O)N[C@@H](COC=O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COC=O)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(N)=O)N=N)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CD274	Q9NZQ7	9/20	0.51

▸	PDCD1	Q15116	7/20	0.51

▸	CIB1	Q99828	4/20	0.46

▸	KLKB1	P03952	2/20	0.41

▸	PRLHR	P49683	4/20	0.41

▸	EPHA2	P29317	1/20	0.41

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
SCHEMBL17751980	1.00	CD274 (0.51)	CD274PDCD1CIB1KLKB1PRLHR
SCHEMBL17751977	0.96	CD274 (0.54)	CD274PDCD1CIB1KLKB1PRLHR
SCHEMBL20013689	0.96	CD274 (0.55)	CD274PDCD1CIB1KLKB1PRLHR
SCHEMBL17751969	0.95	CD274 (0.54)	CD274PDCD1CIB1KLKB1PRLHR
SCHEMBL17751944	0.90	CD274 (0.56)	CD274PDCD1CIB1KLKB1PRLHR
SCHEMBL20009718	0.88	CD274 (0.52)	CD274PDCD1CIB1PRLHR
SCHEMBL20010286	0.87	CD274 (0.44)	CD274PDCD1CIB1KLKB1PRLHR
SCHEMBL17751983	0.87	CD274 (0.44)	CD274PDCD1CIB1KLKB1PRLHR
SCHEMBL19341028	0.87	CD274 (0.60)	CD274PDCD1CIB1KLKB1EPHA2
SCHEMBL19341032	0.87	CD274 (0.59)	CD274PDCD1CIB1KLKB1EPHA2

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-20180086793-A1	IMMUNOMODULATORS	BRISTOL MYERS SQUIBB CO (US)	2018-03-29	—	—	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-20180086793-A1	IMMUNOMODULATORS	CD74, ICOS, HAVCR2	CD274 36/4885PDCD1 79/4885CIB1 1031/4885

“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.