SCHEMBL31384893

C[C@@H](C(=O)N[C@H]1C[C@H]2[C@@H](C[C@H]3CC[C@@H](C(=O)OCc4ccccc4)N3C1=O)C2(F)F)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	XIAP	P98170	13/20	0.39

▸	BIRC2	Q13490	5/20	0.38

▸	CASP1	P29466	1/20	0.37

▸	CTSL	P07711	1/20	0.37

▸	CTSB	P07858	1/20	0.37

▸	CTSS	P25774	1/20	0.37

▸	CTSK	P43235	1/20	0.37

▸	BIRC3	Q13489	4/20	0.36

▸	FKBP1A	P62942	2/20	0.35

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
SCHEMBL31384842	0.88	XIAP (0.40)	XIAPBIRC2CASP1CTSLCTSB
SCHEMBL31384828	0.88	XIAP (0.43)	XIAPBIRC2CASP1CTSLCTSB
SCHEMBL1300499	0.86	XIAP (0.41)	XIAPBIRC2CASP1CTSLCTSB
SCHEMBL1300495	0.86	XIAP (0.41)	XIAPBIRC2CASP1CTSLCTSB
SCHEMBL1300491	0.86	XIAP (0.41)	XIAPBIRC2CASP1CTSLCTSB
SCHEMBL1300496	0.86	XIAP (0.41)	XIAPBIRC2CASP1CTSLCTSB
SCHEMBL12109045	0.81	CTSK (0.39)	XIAPBIRC2CTSLCTSBCTSS
SCHEMBL29922199	0.75	ACE (0.41)	XIAPBIRC2CTSLCTSBCTSS
SCHEMBL31384833	0.75	CASP1 (0.46)	XIAPBIRC2CASP1CTSLFKBP1A
SCHEMBL12852042	0.74	BIRC2 (0.58)	XIAPBIRC2BIRC3

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
WO-2025061058-A1	NOVEL COMPOUNDS AS IAP ANTAGONISTS	ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN)	2025-03-27	—	—	WO	disclosed