SCHEMBL516264

SCHEMBL516264

COC(=O)Cc1c(C(=O)OC)sc(N(CC(=O)OC)CC(=O)OC)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 7/20 0.33
MAPT P10636 6/20 0.33
HSD17B10 Q99714 5/20 0.33
KMT2A Q03164 4/20 0.33
MAPK1 P28482 3/20 0.33
TSHR P16473 3/20 0.33
MEN1 O00255 3/20 0.33
TP53 P04637 2/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
USP2 O75604 2/20 0.32
ATM Q13315 1/20 0.32
ADORA2A P29274 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL1922260 0.94 PLA2G1B (0.43) PLA2G1BATG4BL3MBTL1ALDH1A1MAPT
SCHEMBL1289601 0.92 L3MBTL1 (0.41) PLA2G1BATG4BL3MBTL1ALDH1A1MAPT
SCHEMBL3153974 0.91 PLA2G1B (0.38) PLA2G1BATG4BALDH1A1MAPTHSD17B10
SCHEMBL1922242 0.83 L3MBTL1 (0.40) PLA2G1BATG4BL3MBTL1ALDH1A1MAPT
SCHEMBL4382831 0.83 ALDH1A1 (0.37) PLA2G1BATG4BL3MBTL1ALDH1A1MAPT
SCHEMBL13984089 0.79 L3MBTL1 (0.41) PLA2G1BATG4BL3MBTL1ALDH1A1MAPT
SCHEMBL15154945 0.78 PLA2G1B (0.37) PLA2G1BATG4BL3MBTL1ALDH1A1MAPT
SCHEMBL1922086 0.78 L3MBTL1 (0.56) L3MBTL1ALDH1A1MAPTHSD17B10KMT2A
SCHEMBL1923354 0.77 L3MBTL1 (0.40) PLA2G1BATG4BL3MBTL1ALDH1A1MAPT
SCHEMBL2551044 0.75 RXFP1 (0.52) L3MBTL1ALDH1A1MAPTHSD17B10KMT2A

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 12 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
US-20040059134-A1 Process for the industrial synthesis of tetraesters of 5-[BIS(CARBOXYMETHYL)AMINO]-3-carboxymethyl-4-cyano-2-thiophenecarboxylic acid, and application to the synthesis of bivalent salts of ranelic acid and their hydrates LES LABORATOIRES SERVIER (FR) 2004-03-25 US claimed
WO-2013175270-A1 IMPROVED PROCESS FOR THE PREPARATION OF STRONTIUM RANELATE HYDRATES AND NEW POLYMORPHIC FORM OF MONOHYDRATE FLEMING LABORATORIES LIMITED (IN) 2013-11-28 WO disclosed
WO-2013113319-A1 PROCESS FOR THE PREPARATION OF STRONTIUM RANELATE, INTERMEDIATE OR HYDRATES THEREOF PHARMATHEN S.A. (GR) 2013-08-08 WO disclosed
US-20120029210-A1 Process for the synthesis of strontium ranelate and its hydrates LES LABORATOIRES SERVIER (FR) 2012-02-02 US disclosed
US-8063100-B2 Process for the synthesis of strontium ranelate and its hydrates LES LABORATOIRES SERVIER (FR) 2011-11-22 US disclosed
US-20090082578-A1 Process for the synthesis of strontium ranelate and its hydrates LES LABORATOIRES SERVIER (FR) 2009-03-26 US disclosed
US-7214805-B2 Process for the industrial synthesis of strontium ranelate and its hydrates LES LABORATOIRES SERVIER (FR) 2007-05-08 US disclosed
US-7091364-B2 Process for the industrial synthesis of tetraesters of 5-[bis(carboxymethyl)amino]-3-carboxymethyl-4-cyano-2-thiophenecarboxylic acid, and application to the synthesis of bivalent salts of ranelic acid and their hydrates LES LABORATOIRES SERVIER (FR) 2006-08-15 US disclosed
US-20040063972-A1 Process for the industrial synthesis of strontium ranelate and its hydrates LES LABORATOIRES SERVIER (FR) 2004-04-01 US 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
US-20040059134-A1 Process for the industrial synthesis of tetraesters of 5-[BIS(CARBOXYMETHYL)AMINO]-3-carboxymethyl-4-cyano-2-thiophenecarboxylic acid, and application to the synthesis of bivalent salts of ranelic acid and their hydrates LES LABORATOIRES SERVIER (FR) 2004-03-25 US 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 (4 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-20090082578-A1 Process for the synthesis of strontium ranelate and its hydrates STAU1, RANBP1, RAN PLA2G1B 4070/4885ATG4B 1373/4885L3MBTL1 4713/4885
US-20040063972-A1 Process for the industrial synthesis of strontium ranelate and its hydrates STAU1, SF1, CYP51A1 PLA2G1B 3886/4885ATG4B 1316/4885L3MBTL1 4527/4885
US-20040059134-A1 Process for the industrial synthesis of tetraesters of 5-[BIS(CARBOXYMETHYL)AMINO]-3-carboxymethyl-4-cyano-2-thiophenecarboxylic acid, and application to the synthesis of bivalent salts of ranelic acid and their hydrates CA7, SLC6A6, CA6 PLA2G1B 3793/4885ATG4B 1876/4885L3MBTL1 4454/4885
US-20120029210-A1 Process for the synthesis of strontium ranelate and its hydrates STAU1, NUP155, RANBP1 PLA2G1B 3887/4885ATG4B 1331/4885L3MBTL1 4681/4885

“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.