SCHEMBL13873873

SCHEMBL13873873

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](OCCOCCOCCOCCNC(=O)COCCOCCOCCOCCNC(=O)c6cccc(S(=O)(=O)N[C@@H](Cc7ccc(OCCCCC8CCNCC8)cc7)C(C)=O)c6)[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](C)[C@H]2OC)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.48
▸ ITGB3 P05106 17/20 0.37
▸ ITGA2B P08514 17/20 0.37
▸ SERPINC1 P01008 1/20 0.34
▸ ITGAV P06756 2/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ ST14 Q9Y5Y6 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL13873861 0.98 F2 (0.48) F2ITGB3ITGA2BSERPINC1ITGAV
SCHEMBL13485726 0.83 F2 (0.43) F2ITGB3ITGA2B
SCHEMBL13485724 0.79 F2 (0.44) F2
SCHEMBL6973693 0.75 F2 (0.42) F2ITGB3ITGA2BSERPINC1
SCHEMBL13873870 0.70 SERPINC1 (0.57) F2SERPINC1
SCHEMBL15896277 0.70 SERPINC1 (0.59) F2SERPINC1
SCHEMBL15896265 0.69 SERPINC1 (0.56) F2SERPINC1
SCHEMBL15896276 0.67 SERPINC1 (0.55) F2SERPINC1
SCHEMBL12458594 0.67 SERPINC1 (0.59) F2SERPINC1
SCHEMBL13744744 0.66 ITGB3 (0.76) ITGB3ITGA2BITGAVCHRM2SLC6A4

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-20090111769-A1 Antithrombotic Compound MSD OSS B.V. (NL) 2009-04-30 — — 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-20090111769-A1 Antithrombotic Compound TFPI, FGB, SERPINC1 F2 41/4885ITGB3 16/4885ITGA2B 15/4885

“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.

Send feedback