SCHEMBL4398922

SCHEMBL4398922

COc1cc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc(OC)c1O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.45
SSTR2 P30874 1/20 0.45
SSTR4 P31391 1/20 0.45
SSTR3 P32745 1/20 0.45
SSTR5 P35346 1/20 0.45
ALOX5 P09917 1/20 0.45
NT5E P21589 1/20 0.44
PTPN1 P18031 11/20 0.44
CDC25B P30305 8/20 0.44
PTPN2 P17706 6/20 0.42
PTPN11 Q06124 5/20 0.42
PTPN6 P29350 4/20 0.42
HTR1A P08908 1/20 0.42
TACR2 P21452 1/20 0.42

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
SCHEMBL28411979 0.85 SSTR1 (0.47) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL14590071 0.83 SLC5A2 (0.44) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL19189070 0.82 HTR1A (0.51) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL19189222 0.82 HTR1A (0.51) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL14590072 0.81 SSTR1 (0.42) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL14590067 0.81 SSTR1 (0.44) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL5279710 0.81 SSTR1 (0.44) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL5276770 0.81 SSTR1 (0.44) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL673932 0.80 SSTR1 (0.45) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL15610584 0.80 SLC5A2 (0.42) SSTR1SSTR2SSTR4SSTR3SSTR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473671-B2 Glycopeptide antibiotics, combinatorial libraries of glycopeptide antibiotics and methods of producing same THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-01-06 US disclosed
US-7331920-B2 Glycopeptide antibiotics, combinational libraries of glycopeptide antibiotics and methods of producing same THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2008-02-19 US disclosed
US-20050075483-A1 Glycopeptide antibiotics, combinatorial libraries of glycopeptide antibiotics and methods of producing same TRUSTEES OF PRINCETON UNIVERSITY 2005-04-07 US disclosed
US-20040106772-A1 Glycopeptide antibiotics, combinatorial libraries of glycopeptide antibiotics and methods of producing same TRUSTEES OF PRINCETON UNIVERSITY, THE 2004-06-03 US disclosed
US-6710168-B1 VANCOMYCIN DERIVATIVES THE TRUSTEES OF THE UNIVERSITY OF PRINCETON 2004-03-23 US disclosed
EP-1095058-A4 GLYCOPEPTIDE ANTIBIOTICS, COMBINATORIAL LIBRARIES OF GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF PRODUCING SAME UNIV PRINCETON (US) 2003-07-16 EP disclosed
EP-1179011-A1 GLYCOPEPTIDE ANTIBIOTICS, COMBINATORIAL LIBRARIES OF GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF PRODUCING SAME Princeton University (US) 2002-02-13 EP disclosed
EP-1095058-A1 GLYCOPEPTIDE ANTIBIOTICS, COMBINATORIAL LIBRARIES OF GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF PRODUCING SAME Princeton University (US) 2001-05-02 EP disclosed
WO-2000069892-A1 GLYCOPEPTIDE ANTIBIOTICS, COMBINATORIAL LIBRARIES OF GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF PRODUCING SAME PRINCETON UNIVERSITY (US) 2000-11-23 WO disclosed
WO-2000004044-A1 GLYCOPEPTIDE ANTIBIOTICS, COMBINATORIAL LIBRARIES OF GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF PRODUCING SAME PRINCETON UNIVERSITY (US) 2000-01-27 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 (2 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-20040106772-A1 Glycopeptide antibiotics, combinatorial libraries of glycopeptide antibiotics and methods of producing same NPR1, NPR3, OSTC SSTR1 141/4885SSTR2 488/4885SSTR4 291/4885
US-20050075483-A1 Glycopeptide antibiotics, combinatorial libraries of glycopeptide antibiotics and methods of producing same ARSA, STS, GARS1 SSTR1 116/4885SSTR2 286/4885SSTR4 142/4885

“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.