SCHEMBL3344516

SCHEMBL3344516

CC(=O)N[C@@H]([C@@H](O)[C@H](O)C(=O)O)[C@H](C=O)NC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS2 P35354 1/20 0.32
THPO P40225 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 2/20 0.31
CYP2C9 P11712 1/20 0.31
PDE4A P27815 1/20 0.31

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
SCHEMBL7640293 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL7153508 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL28900822 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL3513773 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL7150013 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL28992556 0.87 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL23933730 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL3489558 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL15547653 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL1311637 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378669-A1 METHODS FOR CONJUGATION OF OLIGOSACCHARIDES OR POLYSACCHARIDES TO PROTEIN CARRIERS THROUGH OXIME LINKAGES VIA 3-DEOXY-D-MANNO-OCTULSONIC ACID The U.S.A , as represented by the Secretary, Department of Health and Human Services (US) 2014-12-25 US disclosed
US-8795680-B2 Methods for conjugation of oligosaccharides or polysaccharides to protein carriers through oxime linkages via 3-deoxy-D-manno-octulsonic acid THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-08-05 US disclosed
WO-2012106251-A2 PERTUSSIS VACCINE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-08-09 WO disclosed
US-20100158937-A1 METHODS FOR CONJUGATION OF OLIGOSACCHARIDES OR POLYSACCHARIDES TO PROTEIN CARRIERS THROUGH OXIME LINKAGES VIA 3-DEOXY-D-MANNO-OCTULSONIC ACID UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES, THE 2010-06-24 US disclosed
WO-2008013735-A2 METHODS FOR CONJUGATION OF OLIGOSACCHARIDES OR POLYSACCHARIDES TO PROTEIN CARRIERS THROUGH OXIME LINKAGES VIA 3-DEOXY-D-MANNO-OCTULSONIC ACID THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-01-31 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-20100158937-A1 METHODS FOR CONJUGATION OF OLIGOSACCHARIDES OR POLYSACCHARIDES TO PROTEIN CARRIERS THROUGH OXIME LINKAGES VIA 3-DEOXY-D-MANNO-OCTULSONIC ACID DAO, OSTC, DDOST ALDH1A1 4018/4885KDM4E 1331/4885MAPT 2642/4885
US-20140378669-A1 METHODS FOR CONJUGATION OF OLIGOSACCHARIDES OR POLYSACCHARIDES TO PROTEIN CARRIERS THROUGH OXIME LINKAGES VIA 3-DEOXY-D-MANNO-OCTULSONIC ACID DAO, OSTC, DDOST ALDH1A1 4051/4885KDM4E 1263/4885MAPT 2567/4885

“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.