SCHEMBL13551197

CNCCOCCOCCOCCOCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)NCCOCCOCCOCCO[C@H]1[C@H](OC)[C@@H](OC)[C@@H](O[C@H]2[C@H](OC)[C@@H](OC)[C@H](O[C@H]3[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]4[C@H](OC)[C@@H](OC)[C@H](O[C@H]5[C@H](OC)[C@@H](OS(=O)(=O)O)[C@@H](OC)O[C@@H]5COS(=O)(=O)O)O[C@H]4C(=O)O)O[C@@H]3COS(=O)(=O)O)O[C@@H]2C(=O)O)O[C@@H]1COS(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	MDK	P21741	4/20	0.49

▸	FOLH1	Q04609	7/20	0.44

▸	CAPN1	P07384	2/20	0.44

▸	PKM	P14618	2/20	0.41

▸	KDM4E	B2RXH2	1/20	0.40

▸	EGLN1	Q9GZT9	1/20	0.40

▸	KDM2A	Q9Y2K7	1/20	0.40

▸	SERPINC1	P01008	1/20	0.40

▸	PRSS1	P07477	2/20	0.39

▸	PRSS2	P07478	2/20	0.39

▸	PRSS3	P35030	2/20	0.39

▸	TPSAB1	Q15661	2/20	0.39

▸	PLG	P00747	1/20	0.39

▸	F2	P00734	2/20	0.39

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
SCHEMBL4732448	0.89	MDK (0.49)	MDKFOLH1CAPN1PKMSERPINC1
SCHEMBL12458589	0.85	MDK (0.51)	MDKFOLH1CAPN1PKMSERPINC1
SCHEMBL12799327	0.85	MDK (0.49)	MDKFOLH1CAPN1PKMSERPINC1
SCHEMBL12799305	0.85	MDK (0.49)	MDKFOLH1CAPN1PKMSERPINC1
SCHEMBL6972442	0.82	F2 (0.43)	MDKFOLH1PKMKDM4EEGLN1
SCHEMBL29435448	0.81	MDK (0.53)	MDKCAPN1SERPINC1PRSS1PRSS2
SCHEMBL13485726	0.81	F2 (0.43)	MDKFOLH1KDM4EEGLN1KDM2A
SCHEMBL13485725	0.80	F2 (0.45)	MDKFOLH1KDM4EEGLN1KDM2A
SCHEMBL29589310	0.78	F2 (0.49)	MDKFOLH1KDM4EEGLN1KDM2A
SCHEMBL16085110	0.77	F2 (0.48)	MDKCAPN1KDM4EEGLN1KDM2A

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-20100004186-A1	Antithrombotic Dual Inhibitors Comprising A Biotin Residue	N.V. ORGANON (NL)	2010-01-07	—	—	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-20100004186-A1	Antithrombotic Dual Inhibitors Comprising A Biotin Residue	SERPINC1, BRS3, TBXA2R	MDK 4825/4885FOLH1 2988/4885CAPN1 4476/4885

“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.