SCHEMBL12458601

CO[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2OC[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)CC(=O)COCCOCCOCCOCCNC(=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 0.43

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	1/20	0.43

▸	MDK	P21741	4/20	0.37

▸	SETD7	Q8WTS6	1/20	0.34

▸	L3MBTL3	Q96JM7	1/20	0.31

▸	NSD2	O96028	1/20	0.31

▸	NSD3	Q9BZ95	1/20	0.31

▸	PDE6D	O43924	1/20	0.30

▸	VHL	P40337	1/20	0.30

▸	ELOC	Q15369	1/20	0.30

▸	ELOB	Q15370	1/20	0.30

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
SCHEMBL12458597	0.95	F2 (0.43)	F2MDKSETD7L3MBTL3NSD2
SCHEMBL12799348	0.93	F2 (0.45)	F2MDKSETD7L3MBTL3NSD2
SCHEMBL12458605	0.93	F2 (0.45)	F2MDKSETD7L3MBTL3NSD2
SCHEMBL12799315	0.93	F2 (0.45)	F2MDKSETD7L3MBTL3NSD2
SCHEMBL12458604	0.90	F2 (0.42)	F2MDKSETD7L3MBTL3NSD2
SCHEMBL12458591	0.90	F2 (0.42)	F2MDKSETD7L3MBTL3NSD2
SCHEMBL12799304	0.88	F2 (0.40)	F2MDKSETD7L3MBTL3NSD2
SCHEMBL4732589	0.87	F2 (0.42)	F2MDKSETD7L3MBTL3NSD2
SCHEMBL29589310	0.83	F2 (0.49)	F2MDKSETD7
SCHEMBL16085110	0.81	F2 (0.48)	F2MDKSETD7

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-20120238512-A1	ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN RESIDUE	MSD OSS B.V. (NL)	2012-09-20	—	—	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-20120238512-A1	ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN RESIDUE	BRS3, SERPINC1, TBXA2R	F2 67/4885MDK 4805/4885SETD7 3957/4885

“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.