SCHEMBL17722679

SCHEMBL17722679

CC(=O)NC1[C@@H](O[C@@H]2C(C(=O)O)O[C@@H](O[C@@H]3C(COS(=O)(=O)O)O[C@H](O[C@H](C(OC(C)O[C@@H]4C(COS(=O)(=O)O)O[C@H](O[C@H]5C(C(=O)O)O[C@@H](C)[C@@H](OS(=O)(=O)O)C5O)C(NS(=O)(=O)O)[C@H]4O)C(=O)O)[C@@H](O)COS(=O)(=O)O)C(NS(=O)(=O)O)[C@H]3OS(=O)(=O)O)[C@@H](O)C2O)OC(COS(=O)(=O)O)[C@@H](O)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.58
▸ BDNF P23560 3/20 0.44
▸ MDK P21741 3/20 0.44
▸ PTN P21246 2/20 0.44
▸ HPSE Q9Y251 4/20 0.41
▸ F9 P00740 3/20 0.40
▸ F8 P00451 2/20 0.40
▸ BMP2 P12643 2/20 0.39
▸ VEGFA P15692 2/20 0.39
▸ CXCL12 P48061 2/20 0.39
▸ SHH Q15465 2/20 0.39
▸ IFNG P01579 1/20 0.39
▸ PF4 P02776 1/20 0.39
▸ CCL2 P13500 1/20 0.39
▸ SELP P16109 1/20 0.39
▸ BMP6 P22004 1/20 0.39
▸ CCL11 P51671 1/20 0.39
▸ WNT3A P56704 1/20 0.39
▸ SELPLG Q14242 1/20 0.39
▸ FGF2 P09038 3/20 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
SCHEMBL15996755 0.77 F10 (0.78) F10BDNFMDKPTNHPSE
SCHEMBL15452278 0.76 F10 (0.72) F10BDNFMDKPTNHPSE
SCHEMBL17771214 0.76 F10 (0.72) F10BDNFMDKPTNHPSE
SCHEMBL17771212 0.76 F10 (0.72) F10BDNFMDKPTNHPSE
SCHEMBL15452257 0.76 F10 (0.72) F10BDNFMDKPTNHPSE
SCHEMBL18177564 0.76 F10 (0.72) F10BDNFMDKPTNHPSE
SCHEMBL18177566 0.76 F10 (0.72) F10BDNFMDKPTNHPSE
SCHEMBL15452260 0.76 F10 (0.72) F10BDNFMDKPTNHPSE
SCHEMBL15452228 0.76 F10 (0.72) F10BDNFMDKPTNHPSE
Fondaparinux SCHEMBL19619397 0.75 F10 (1.00) F10BDNFMDKPTNHPSE

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-20160122446-A1 REVERSIBLE HEPARIN MOLECULES AND METHODS OF MAKING AND USING THE SAME NUTECH VENTURES 2016-05-05 — — 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-20160122446-A1 REVERSIBLE HEPARIN MOLECULES AND METHODS OF MAKING AND USING THE SAME SERPINC1, PLG, PTMA F10 63/4885BDNF 4294/4885MDK 1471/4885

“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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