SCHEMBL13381108

SCHEMBL13381108

CCC1(C(=O)OC)O[C@@H](O[C@@H]2C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@@H](O[C@H]3C(OC)[C@H]4OCC3(C(=O)OC)O[C@H]4O[C@@H]3C(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)O[C@H](OC)C(OC(C)=O)[C@H]3OC)C(OC(C)=O)[C@H]2OC(C)=O)C(OC)[C@@H](OC)[C@@H]1O[C@@H]1CC(COC(C)=O)[C@@H](OC)[C@H](OC)C1OC

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.32
▸ CA12 O43570 4/20 0.30
▸ CA1 P00915 4/20 0.30
▸ CA2 P00918 4/20 0.30
▸ CA9 Q16790 4/20 0.30
▸ PRKCA P17252 1/20 0.30
▸ AKT1 P31749 1/20 0.30
▸ PTK2 Q05397 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
SCHEMBL13381106 0.86 LGALS9 (0.31) —
SCHEMBL13381075 0.79 CA1 (0.37) CA12CA1CA2CA9PRKCA
SCHEMBL13381107 0.79 SERPINC1 (0.30) —
SCHEMBL13381076 0.78 CA1 (0.36) CA12CA1CA2CA9
SCHEMBL17269437 0.77 CA12 (0.32) CA12CA1CA2CA9
SCHEMBL13381081 0.75 PTPN1 (0.38) CA12CA1CA2CA9
SCHEMBL13381027 0.75 PTPN1 (0.33) —
SCHEMBL13381078 0.72 LGALS8 (0.35) PAX8CA12CA1CA2CA9
SCHEMBL13381064 0.71 NT5E (0.36) CA12CA1CA2CA9
SCHEMBL13381069 0.70 TNF (0.35) CA12CA1CA2CA9

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-20100081708-A1 ANTICOAGULANT COMPOUNDS ENDOTIS PHARMA (FR) 2010-04-01 — — 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-20100081708-A1 ANTICOAGULANT COMPOUNDS SERPINC1, F2, FUT5 PAX8 4822/4885CA12 119/4885CA1 435/4885

“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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