SCHEMBL12799348

CO[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O[C@H]3O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O[C@H]5O[C@H](COS(=O)(=O)O)[C@@H](OCCOCCOCCOCCCC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]6SC[C@@H]7NC(=O)N[C@@H]76)NC(=O)CCCCC(=O)C[C@H](NS(=O)(=O)c6c(C)cc(C)c(C)c6C)C(=O)C[C@H](Cc6ccc(C(=N)N)cc6)C(=O)N6CCCCC6)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)[C@H](OS(=O)(=O)O)[C@H]3OS(=O)(=O)O)[C@H](OC)[C@H]2OC)[C@H](OC)[C@H]1OS(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	1/20	0.45

▸	MDK	P21741	4/20	0.38

▸	SETD7	Q8WTS6	1/20	0.35

▸	CASP3	P42574	2/20	0.32

▸	CASP1	P29466	1/20	0.32

▸	CASP2	P42575	1/20	0.32

▸	CASP7	P55210	1/20	0.32

▸	CASP8	Q14790	1/20	0.32

▸	PDE6D	O43924	1/20	0.32

▸	L3MBTL3	Q96JM7	1/20	0.32

▸	PADI6	Q6TGC4	1/20	0.32

▸	PLG	P00747	1/20	0.32

▸	PRSS1	P07477	1/20	0.32

▸	PRSS2	P07478	1/20	0.32

▸	PRSS3	P35030	1/20	0.32

▸	TPSAB1	Q15661	1/20	0.32

▸	NSD2	O96028	1/20	0.32

▸	NSD3	Q9BZ95	1/20	0.32

▸	FOLH1	Q04609	4/20	0.31

▸	PSEN1	P49768	1/20	0.31

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
SCHEMBL12458605	1.00	F2 (0.45)	F2MDKSETD7CASP3CASP1
SCHEMBL12799315	1.00	F2 (0.45)	F2MDKSETD7CASP3CASP1
SCHEMBL12458597	0.97	F2 (0.43)	F2MDKSETD7CASP3CASP1
SCHEMBL12458604	0.97	F2 (0.42)	F2MDKSETD7CASP3CASP1
SCHEMBL12458591	0.97	F2 (0.42)	F2MDKSETD7CASP3CASP1
SCHEMBL4732589	0.94	F2 (0.42)	F2MDKSETD7CASP3CASP1
SCHEMBL12799304	0.93	F2 (0.40)	F2MDKSETD7CASP3CASP1
SCHEMBL12458601	0.93	F2 (0.43)	F2MDKSETD7PDE6DL3MBTL3
SCHEMBL29589310	0.87	F2 (0.49)	F2MDKSETD7CASP3CASP1
SCHEMBL16085110	0.85	F2 (0.48)	F2MDKSETD7CASP3CASP1

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-8445450-B2	Antithrombotic dual inhibitors comprising a biotin residue	MERCK SHARP & DOHME B.V. (NL)	2013-05-21	—	—	US	disclosed
US-20120245109-A1	ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN RESIDUE	MSD OSS B.V. (NL)	2012-09-27	—	—	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-20120245109-A1	ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN RESIDUE	TBXA2R, MC3R, BRS3	F2 73/4885MDK 4776/4885SETD7 4080/4885

“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.