SCHEMBL2580404

SCHEMBL2580404

CC(C)(C)C(=O)O[C@H]1[C@H](OC(=N)C(Cl)(Cl)Cl)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.54
PTPN1 P18031 12/20 0.47
CDC25B P30305 9/20 0.47
PTPN2 P17706 7/20 0.43
PTPN11 Q06124 6/20 0.43
PTPN6 P29350 5/20 0.43
SSTR1 P30872 1/20 0.42
SSTR2 P30874 1/20 0.42
SSTR4 P31391 1/20 0.42
SSTR3 P32745 1/20 0.42
SSTR5 P35346 1/20 0.42
TACR2 P21452 1/20 0.41
CDC25A P30304 1/20 0.41
BCHE P06276 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL14363524 0.90 NT5E (0.53) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL7169887 0.90 NT5E (0.53) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL14088865 0.90 NT5E (0.53) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL7170086 0.90 NT5E (0.53) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL19731854 0.90 NT5E (0.53) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL24672154 0.90 NT5E (0.53) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL14598383 0.90 NT5E (0.53) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL2485383 0.90 NT5E (0.53) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL21537642 0.90 NT5E (0.53) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL14616676 0.89 NT5E (0.57) NT5EPTPN1CDC25BPTPN2PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160375120-A1 SYNTHETIC OLIGOSACCHARIDES FOR MORAXELLA VACCINE VISTERRA INC (US) 2016-12-29 US disclosed
US-9447133-B2 Synthetic oligosaccharides for moraxella vaccine Visterra, Inc. (US) 2016-09-20 US disclosed
US-20140148592-A1 Synthetic Oligosaccharides for Moraxella Vaccine Visterra, Inc. 2014-05-29 US disclosed
US-8716469-B2 Synthetic oligosaccharides for Moraxella vaccine ANCORA PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20130102759-A1 Synthetic Oligosaccharides for Moraxella Vaccine SYNGLYCO, INC. 2013-04-25 US disclosed
WO-2011137181-A1 SYNTHETIC OLIGOSACCHARIDES FOR MORAXELLA VACCINE ANCORA PHARMACEUTICALS INC. (US) 2011-11-03 WO 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 (3 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-20160375120-A1 SYNTHETIC OLIGOSACCHARIDES FOR MORAXELLA VACCINE FUT6, FUT5, MGAM NT5E 2374/4885PTPN1 1234/4885CDC25B 2890/4885
US-20130102759-A1 Synthetic Oligosaccharides for Moraxella Vaccine FUT6, OSTC, MGAM NT5E 2680/4885PTPN1 1240/4885CDC25B 3276/4885
US-20140148592-A1 Synthetic Oligosaccharides for Moraxella Vaccine FUT6, FUT5, MGAM NT5E 2374/4885PTPN1 1234/4885CDC25B 2890/4885

“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.