SCHEMBL12920540

SCHEMBL12920540

CC(=O)OCC1O[C@H](O[C@@H]2C(OC(=O)c3ccccc3)[C@@H](OC3[C@@H](OCc4ccccc4)OC(COCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)OC(COC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)C(OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.50
▸ CYP2D6 P10635 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ PTPN1 P18031 6/20 0.44
▸ CDC25B P30305 5/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ PRKCA P17252 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ PTK2 Q05397 1/20 0.43
▸ PTPN2 P17706 2/20 0.43

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
SCHEMBL13308239 0.91 NT5E (0.49) NT5ECYP2D6ALDH1A1MAPK1TSHR
SCHEMBL12920538 0.90 NT5E (0.51) NT5EPOLBPTPN1CDC25BKMT2A
SCHEMBL12920539 0.89 NT5E (0.52) NT5EPTPN1CDC25BPTPN2PTPN6
SCHEMBL12920535 0.87 NT5E (0.54) NT5EPTPN1CDC25BPTPN2PTPN6
SCHEMBL3700974 0.87 ANTXR2 (0.50) NT5ECYP2D6ALDH1A1MAPK1CA1
SCHEMBL12920544 0.87 TSHR (0.58) CYP2D6ALDH1A1MAPK1TSHRCA1
SCHEMBL14020069 0.86 LMNA (0.48) NT5ECYP2D6ALDH1A1MAPK1TSHR
SCHEMBL975078 0.86 NT5E (0.54) NT5EPTPN1CDC25BPTPN2PTPN6
SCHEMBL975079 0.86 NT5E (0.54) NT5EPTPN1CDC25BPTPN2PTPN6
SCHEMBL12920536 0.86 NT5E (0.54) NT5EPTPN1CDC25BPTPN2PTPN6

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-7875592-B2 inhibitors of heparan sulfate-binding proteins and inhibitors of the enzyme heparanase; antiangiogenic, antimetastatic, anti-inflammatory, antimicrobial, anticoagulant and/or antithrombotic treatment, lowering of blood triglyceride levels and inhibition of cardiovascular disease PROGEN PHARMACEUTICALS LIMITED (AU) 2011-01-25 — — US disclosed
US-20070185037-A1 Sulfated oligosaccharide derivatives PROGEN INDUSTRIES LIMITED (AU) 2007-08-09 — — 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-20070185037-A1 Sulfated oligosaccharide derivatives HPSE, APOB, LIPG NT5E 1735/4885CYP2D6 2537/4885ALDH1A1 3329/4885

“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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