Sugi Predict

Sugi Predict / Compounds / SCHEMBL12799309

SCHEMBL12799309

SCHEMBL12799309

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](OCCOCCOCCOCCN)[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](OC)[C@H]2OC)[C@H](OC)[C@H]1OS(=O)(=O)O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SERPINC1 P01008 3/20 0.68
▸ CXCL10 P02778 1/20 0.55
▸ CXCL8 P10145 1/20 0.55
▸ CCL2 P13500 1/20 0.55
▸ CCL5 P13501 1/20 0.55
▸ CXCL12 P48061 1/20 0.55
▸ F10 P00742 6/20 0.47
▸ FGF1 P05230 4/20 0.45
▸ F2 P00734 2/20 0.43
▸ FGF2 P09038 1/20 0.41
▸ HPSE Q9Y251 2/20 0.40
▸ BDNF P23560 3/20 0.38
▸ PTN P21246 2/20 0.38
▸ MDK P21741 2/20 0.38

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
SCHEMBL12458594 0.93 SERPINC1 (0.59) SERPINC1CXCL10CXCL8CCL2CCL5
SCHEMBL14959633 0.92 SERPINC1 (0.57) SERPINC1CXCL10CXCL8CCL2CCL5
SCHEMBL15896273 0.92 SERPINC1 (0.69) SERPINC1CXCL10CXCL8CCL2CCL5
SCHEMBL13873870 0.91 SERPINC1 (0.57) SERPINC1CXCL10CXCL8CCL2CCL5
Idraparinux SCHEMBL427808 0.87 SERPINC1 (0.85) SERPINC1F10FGF1F2FGF2
Idraparinux SCHEMBL29382311 0.87 SERPINC1 (0.85) SERPINC1F10FGF1F2FGF2
SCHEMBL29407493 0.87 SERPINC1 (0.85) SERPINC1F10FGF1F2FGF2
SCHEMBL15896277 0.85 SERPINC1 (0.59) SERPINC1CXCL10CXCL8CCL2CCL5
SCHEMBL12729453 0.84 SERPINC1 (0.74) SERPINC1CXCL10CXCL8CCL2CCL5
SCHEMBL15896274 0.83 SERPINC1 (0.57) SERPINC1CXCL10CXCL8CCL2CCL5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445450-B2 Antithrombotic dual inhibitors comprising a biotin residue MERCK SHARP & DOHME B.V. (NL) 2013-05-21 — — US disclosed
US-20120245109-A1 ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN RESIDUE MSD OSS B.V. (NL) 2012-09-27 — — 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-20120245109-A1 ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN RESIDUE TBXA2R, MC3R, BRS3 SERPINC1 4/4885CXCL10 2550/4885CXCL8 1257/4885

“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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