SCHEMBL12458583

SCHEMBL12458583

COC1[C@@H](OC)[C@H](O[C@H]2[C@H](OC)[C@@H](OS(=O)(=O)O)[C@@H](OC)O[C@@H]2COS(=O)(=O)O)O[C@@H](C(=O)O)[C@H]1O[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](OCCOCCOCCOCCCC(=O)CCCCC(=O)C[C@H](NS(=O)(=O)c4c(C)cc(C)c(C)c4C)C(=O)C[C@H](Cc4ccc(C(C)=N)cc4)C(=O)N4CCCCC4)[C@H](OC)[C@H]3OC)[C@H](OC)[C@H]2OC)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.47
▸ SERPINC1 P01008 1/20 0.38
▸ FGF2 P09038 2/20 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
SCHEMBL12799295 1.00 F2 (0.47) F2SERPINC1FGF2
SCHEMBL4732411 0.96 F2 (0.46) F2SERPINC1FGF2
SCHEMBL12458591 0.88 F2 (0.42) F2
SCHEMBL4732589 0.84 F2 (0.42) F2
SCHEMBL12799348 0.84 F2 (0.45) F2
SCHEMBL12799315 0.84 F2 (0.45) F2
SCHEMBL12799304 0.84 F2 (0.40) F2
SCHEMBL13551195 0.78 F2 (0.57) F2SERPINC1
SCHEMBL14959577 0.74 F2 (0.48) F2SERPINC1
SCHEMBL29589310 0.72 F2 (0.49) F2

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-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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120238512-A1 ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN RESIDUE BRS3, SERPINC1, TBXA2R F2 67/4885SERPINC1 2/4885FGF2 2809/4885

“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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