SCHEMBL13485724

SCHEMBL13485724

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](OCCOCCOCCOCCNC(=O)COCCOCCOCCOCCNC(=O)c6cccc(S(=O)(=O)N[C@@H](Cc7ccc(OCCCCC8CCCCC8)cc7)C(=O)O)c6)[C@H](OC)[C@H]5NC(=O)CCCCCCC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@@H]65)[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](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.44
▸ MDK P21741 4/20 0.42
▸ SETD7 Q8WTS6 1/20 0.36
▸ GIGYF2 Q6Y7W6 1/20 0.34
▸ SORT1 Q99523 1/20 0.34
▸ FOLH1 Q04609 3/20 0.34
▸ PKM P14618 2/20 0.33
▸ PRKAA2 P54646 1/20 0.32
▸ LY6K Q17RY6 1/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ NSD3 Q9BZ95 1/20 0.32
▸ FGF2 P09038 1/20 0.32

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL6973693 0.89 F2 (0.42) F2MDKSETD7GIGYF2SORT1
SCHEMBL13485725 0.89 F2 (0.45) F2MDKSETD7SORT1FOLH1
SCHEMBL6972442 0.88 F2 (0.43) F2MDKSETD7GIGYF2SORT1
SCHEMBL13485726 0.87 F2 (0.43) F2MDKSETD7SORT1FOLH1
SCHEMBL13873861 0.81 F2 (0.48) F2
SCHEMBL13873873 0.79 F2 (0.48) F2
SCHEMBL29435448 0.76 MDK (0.53) F2MDKFGF2
SCHEMBL13551197 0.75 MDK (0.49) F2MDKFOLH1PKM
SCHEMBL4732448 0.73 MDK (0.49) F2MDKFOLH1PKMFGF2
SCHEMBL12799305 0.72 MDK (0.49) F2MDKFOLH1PKMFGF2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029582-A1 Anticoagulant Antithrombotic Dual Inhibitors Comprising a Biotin Label MERCK SHARP & DOHME B.V. (NL) 2010-02-04 — — 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100029582-A1 Anticoagulant Antithrombotic Dual Inhibitors Comprising a Biotin Label FGB, F13B, SERPINC1 F2 33/4885MDK 3123/4885SETD7 3070/4885

“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.

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