SCHEMBL4382831

SCHEMBL4382831

CCOC(=O)CN(CC(=O)OCC)c1sc(C(=O)O)c(CC(=O)OC)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
LMNA P02545 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
FNTA P49354 4/20 0.33
FNTB P49356 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BRCA1 P38398 1/20 0.33
BRAF P15056 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL1289601 0.92 L3MBTL1 (0.41) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL3153974 0.92 PLA2G1B (0.38) ALDH1A1HPGDHSD17B10PLA2G1BATG4B
SCHEMBL2228571 0.91 L3MBTL1 (0.37) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL1922242 0.86 L3MBTL1 (0.40) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL2552584 0.85 L3MBTL1 (0.48) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL516264 0.83 PLA2G1B (0.41) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL1922260 0.82 PLA2G1B (0.43) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL2551044 0.78 RXFP1 (0.52) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL1923354 0.76 L3MBTL1 (0.40) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
Ranelic Acid SCHEMBL500994 0.76 FNTA (0.37) PLA2G1BATG4BFNTAFNTBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403265-B1 Industrial process for the synthesis of 5-¬bis(carboxymethyl)amino -3-carboxymethyl-4-cyano-2-thiophene-carboxylic acid tetraesters and use for the synthesis of ranetic acid divalent salts and hydrates thereof SERVIER LAB (FR) 2009-11-25 EP claimed
WO-2004029034-A1 SYNTHESIS OF THIOPHENECARBOXYLIC ACID ESTERS FOR THE PRODUCTION OF RANELIC ACID SALTS LES LABORATOIRES SERVIER (FR) 2004-04-08 WO claimed
EP-1403265-A1 Industrial process for the synthesis of 5-[bis(carboxymethyl)amino]-3-carboxymethyl-4-cyano-2-thiophene-carboxylic acid tetraesters and use for the synthesis of ranetic acid divalent salts and hydrates thereof Les Laboratoires Servier (FR) 2004-03-31 EP claimed
EP-1403265-B1 Industrial process for the synthesis of 5-¬bis(carboxymethyl)amino -3-carboxymethyl-4-cyano-2-thiophene-carboxylic acid tetraesters and use for the synthesis of ranetic acid divalent salts and hydrates thereof SERVIER LAB (FR) 2009-11-25 EP disclosed
WO-2004029034-A1 SYNTHESIS OF THIOPHENECARBOXYLIC ACID ESTERS FOR THE PRODUCTION OF RANELIC ACID SALTS LES LABORATOIRES SERVIER (FR) 2004-04-08 WO disclosed
WO-2004029036-A1 NOVEL METHOD FOR THE INDUSTRIAL SYNTHESIS OF STRONTIUM RANELATE AND THE HYDRATES THEREOF LES LABORATOIRES SERVIER (FR) 2004-04-08 WO disclosed
EP-1403265-A1 Industrial process for the synthesis of 5-[bis(carboxymethyl)amino]-3-carboxymethyl-4-cyano-2-thiophene-carboxylic acid tetraesters and use for the synthesis of ranetic acid divalent salts and hydrates thereof Les Laboratoires Servier (FR) 2004-03-31 EP disclosed
EP-1403266-A1 Process for the industrial synthesis of strontium ranelate and hydrates thereof LES LABORATOIRES SERVIER (FR) 2004-03-31 EP disclosed