SCHEMBL3163152

SCHEMBL3163152

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
THRB P10828 2/20 0.48
BLM P54132 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
PTGS2 P35354 1/20 0.48
THPO P40225 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BHMT Q93088 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GNPAT O15228 1/20 0.44
FOLH1 Q04609 7/20 0.44
NAALAD2 Q9Y3Q0 2/20 0.44
RIMKLA Q8IXN7 1/20 0.44
PAM P19021 1/20 0.41
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3163154 1.00 MAPT (0.48) MAPTTHRBBLMKDM4EALOX15
SCHEMBL3163148 1.00 MAPT (0.48) MAPTTHRBBLMKDM4EALOX15
SCHEMBL3364340 0.84 MAPT (0.50) MAPTTHRBBLMKDM4EALOX15
SCHEMBL468743 0.84 MAPT (0.50) MAPTTHRBBLMKDM4EALOX15
SCHEMBL468741 0.84 MAPT (0.50) MAPTTHRBBLMKDM4EALOX15
SCHEMBL3158140 0.83 MAPT (0.53) MAPTTHRBBLMKDM4EALOX15
SCHEMBL3158146 0.83 MAPT (0.53) MAPTTHRBBLMKDM4EALOX15
SCHEMBL9636369 0.83 MAPT (0.57) MAPTTHRBBLMKDM4EALOX15
SCHEMBL9636364 0.83 MAPT (0.57) MAPTTHRBBLMKDM4EALOX15
SCHEMBL4953117 0.82 MAPT (0.48) MAPTTHRBBLMKDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497525-B2 Pneumococcal polysaccharide conjugate vaccine MERCK & CO INC (US) 2010-03-03 EP disclosed
EP-0497525-B1 Pneumococcal polysaccharide conjugate vaccine MERCK & CO INC (US) 1998-08-19 EP disclosed
US-5623057-A IMMUNOGENIC PROTEIN COVALENTLY LINKED TO POLYSACCHARIDE DERIVED FROM STREPTOCOCCUS PNEUMONIAE MERCK & CO., INC. (US) 1997-04-22 US disclosed
CN-1020733-C PROCESS FOR PREPARING COVALENT CONJUNCT AGENT OF BACTERIAL POLYSACCHARIDE AND IMMUNOGEN PROTEIN MC CO LTD (US) 1993-05-19 CN disclosed
EP-0497525-A2 Pneumococcal polysaccharide conjugate vaccine MERCK & CO. INC. (US) 1992-08-05 EP disclosed
EP-0467714-A1 The class II protein of the outer membrane of neisseria meningitidis MERCK & CO. INC. (US) 1992-01-22 EP disclosed
EP-0161188-B1 COVALENTLY-MODIFIED BACTERIAL POLYSACCHARIDES, STABLE COVALENT CONJUGATES OF SUCH POLYSACCHARIDES AND IMMUNOGENIC PROTEINS WITH BIGENERIC SPACERS, AND METHODS OF PREPARING SUCH POLYSACCHARIDES AND CONJUGATES AND OF CONFIRMING COVALENCY MERCK & CO. INC. (US) 1991-04-03 EP disclosed
US-4882317-A SOLUBILIZATION MERCK & CO., INC. (US) 1989-11-21 US disclosed
US-4695624-A Covalently-modified polyanionic bacterial polysaccharides, stable covalent conjugates of such polysaccharides and immunogenic proteins with bigeneric spacers, and methods of preparing such polysaccharides and conjugates and of confirming covalency MERCK & CO., INC. (US) 1987-09-22 US disclosed
CN-85104164-A Preparation method of covalent conjugate of bacterial polysaccharide and immunogen protein 1987-02-04 CN disclosed
EP-0161188-A2 Covalently-modified bacterial polysaccharides, stable covalent conjugates of such polysaccharides and immunogenic proteins with bigeneric spacers, and methods of preparing such polysaccharides and conjugates and of confirming covalency MERCK & CO. INC. (US) 1985-11-13 EP disclosed