SCHEMBL1034819

SCHEMBL1034819

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.37
PDPK1 O15530 1/20 0.36
MTOR P42345 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN1 P18031 1/20 0.33
CDC25B P30305 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL22423316 1.00 NT5E (0.37) NT5EPDPK1MTORALDH1A1CYP2D6
SCHEMBL12757246 1.00 NT5E (0.37) NT5EPDPK1MTORALDH1A1CYP2D6
SCHEMBL2779820 0.91 PDPK1 (0.38) NT5EPDPK1MTORPTPN1CDC25B
SCHEMBL20854863 0.91 PDPK1 (0.38) NT5EPDPK1MTORPTPN1CDC25B
SCHEMBL7554868 0.91 PDPK1 (0.38) NT5EPDPK1MTORPTPN1CDC25B
SCHEMBL10031484 0.91 PDPK1 (0.38) NT5EPDPK1MTORPTPN1CDC25B
SCHEMBL22181021 0.91 PDPK1 (0.38) NT5EPDPK1MTORPTPN1CDC25B
SCHEMBL8597607 0.91 PDPK1 (0.38) NT5EPDPK1MTORPTPN1CDC25B
SCHEMBL1973777 0.90 NT5E (0.36) NT5EPDPK1MTORPTPN1CDC25B
SCHEMBL15975393 0.89 FGF2 (0.35) NT5EALDH1A1CYP2D6MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086767-A1 MUTANTS OF GLYCOSIDE HYDROLASES AND USES THEREOF FOR SYNTHESIZING COMPLEX OLIGOSACCHARIDES AND DISACCHARIDE INTERMEDIATES INSTITUT PASTEUR 2011-04-14 US disclosed
EP-2271752-A2 MUTANTS OF GLYCOSIDE HYDROLASES AND USES THEREOF FOR SYNTHESIZING COMPLEX OLIGOSACCHARIDES AND DISACCHARIDE INTERMEDIATES Institut Pasteur (FR) 2011-01-12 EP disclosed
WO-2009112950-A2 MUTANTS OF GLYCOSIDE HYDROLASES AND USES THEREOF FOR SYNTHESIZING COMPLEX OLIGOSACCHARIDES AND DISACCHARIDE INTERMEDIATES INSTITUT PASTEUR (FR) 2009-09-17 WO disclosed
EP-2100965-A1 Mutants of glycoside hydrolases and uses thereof for synthesizing complex oligosaccharides and disaccharide intermediates Institut Pasteur (FR) 2009-09-16 EP 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-20110086767-A1 MUTANTS OF GLYCOSIDE HYDROLASES AND USES THEREOF FOR SYNTHESIZING COMPLEX OLIGOSACCHARIDES AND DISACCHARIDE INTERMEDIATES ENGASE, GALE, MGAM NT5E 725/4885PDPK1 4179/4885MTOR 4738/4885

“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.