SCHEMBL1289601

SCHEMBL1289601

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
RXFP1 Q9HBX9 2/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 2/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
LMNA P02545 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
BRAF P15056 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
BRCA1 P38398 1/20 0.36
FNTA P49354 3/20 0.35
FNTB P49356 3/20 0.35
TNNI3 P19429 1/20 0.35
TNNT2 P45379 1/20 0.35
TNNC1 P63316 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4382831 0.92 ALDH1A1 (0.37) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL1922242 0.92 L3MBTL1 (0.40) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL516264 0.92 PLA2G1B (0.41) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL2552584 0.91 L3MBTL1 (0.48) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL1922260 0.88 PLA2G1B (0.43) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL1923354 0.84 L3MBTL1 (0.40) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL2551044 0.83 RXFP1 (0.52) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL3153974 0.83 PLA2G1B (0.38) ALDH1A1HPGDHSD17B10PLA2G1BATG4B
SCHEMBL2228571 0.82 L3MBTL1 (0.37) L3MBTL1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL2553694 0.79 RXFP1 (0.53) L3MBTL1RXFP1ALDH1A1HPGDKDM4E

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
US-20120123131-A1 PROCESS FOR THE PREPARATION OF STRONTIUM RANELATE PRABAHAR KOILPILLAI JOSEPH (IN) 2012-05-17 US disclosed
WO-2012046251-A2 NOVEL FORM OF RANELIC ACID GLENMARK GENERICS LIMITED (IN) 2012-04-12 WO disclosed
WO-2012046251-A2 NOVEL FORM OF RANELIC ACID GLENMARK GENERICS LIMITED (IN) 2012-04-12 WO disclosed
EP-2328884-A2 A PROCESS FOR THE PREPARATION OF STRONTIUM RANELATE Glenmark Generics Limited (IN) 2011-06-08 EP disclosed
WO-2010021000-A2 A PROCESS FOR THE PREPARATION OF STRONTIUM RANELATE GLENMARK GENERICS LIMITED (IN) 2010-02-25 WO 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 (3 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-20040063972-A1 Process for the industrial synthesis of strontium ranelate and its hydrates STAU1, SF1, CYP51A1 L3MBTL1 4527/4885RXFP1 2914/4885ALDH1A1 938/4885
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 L3MBTL1 4454/4885RXFP1 2210/4885ALDH1A1 1492/4885
US-20120123131-A1 PROCESS FOR THE PREPARATION OF STRONTIUM RANELATE C1S, RANBP1, C5 L3MBTL1 4008/4885RXFP1 2087/4885ALDH1A1 2317/4885

“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.