SCHEMBL1922086

SCHEMBL1922086

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
ADORA2A P29274 1/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
BRCA1 P38398 1/20 0.46
ALDH1A1 P00352 8/20 0.46
HSD17B10 Q99714 5/20 0.46
TSHR P16473 3/20 0.46
MAPK1 P28482 1/20 0.46
TNNI3 P19429 1/20 0.44
TNNT2 P45379 1/20 0.44
TNNC1 P63316 1/20 0.44
MAPT P10636 3/20 0.41
USP2 O75604 2/20 0.40
KDM4E B2RXH2 4/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CISD2 Q8N5K1 1/20 0.38
HPGD P15428 4/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6555490 0.90 L3MBTL1 (0.48) L3MBTL1ADORA2AMEN1KMT2ABRCA1
SCHEMBL6918767 0.86 L3MBTL1 (0.52) L3MBTL1ADORA2AMEN1KMT2ABRCA1
SCHEMBL13984089 0.84 L3MBTL1 (0.41) L3MBTL1ADORA2AMEN1KMT2ABRCA1
SCHEMBL2554376 0.82 L3MBTL1 (0.74) L3MBTL1ADORA2AMEN1KMT2ABRCA1
SCHEMBL516264 0.78 PLA2G1B (0.41) L3MBTL1ADORA2AMEN1KMT2AALDH1A1
SCHEMBL1922260 0.77 PLA2G1B (0.43) L3MBTL1ADORA2AMEN1KMT2ABRCA1
SCHEMBL623740 0.76 ADORA2A (0.71) L3MBTL1ADORA2AMEN1KMT2AALDH1A1
SCHEMBL10508850 0.74 ADORA2A (0.49) L3MBTL1ADORA2AMEN1KMT2ABRCA1
SCHEMBL3050182 0.73 ADORA2A (0.55) L3MBTL1ADORA2AMEN1KMT2AALDH1A1
SCHEMBL1289601 0.73 L3MBTL1 (0.41) L3MBTL1ADORA2AMEN1KMT2ABRCA1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-2328884-A2 A PROCESS FOR THE PREPARATION OF STRONTIUM RANELATE Glenmark Generics Limited (IN) 2011-06-08 EP claimed
WO-2010021000-A2 A PROCESS FOR THE PREPARATION OF STRONTIUM RANELATE GLENMARK GENERICS LIMITED (IN) 2010-02-25 WO claimed
US-20060142596-A1 Process for the industrial synthesis of the methyl diester of 5-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) 2006-06-29 US claimed
EP-1403264-B1 Process for the industrial synthesis of 5-amino-3-carboxymethyl-4-cyano-2-thiophenecarboxydimethylester SERVIER LAB (FR) 2004-12-29 EP claimed
US-20040059135-A1 Process for the industrial synthesis of the methyl diester of 5-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
US-20120123131-A1 PROCESS FOR THE PREPARATION OF STRONTIUM RANELATE PRABAHAR KOILPILLAI JOSEPH (IN) 2012-05-17 US 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-7462714-B2 Process for the industrial synthesis of the methyl diester of 5-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) 2008-12-09 US disclosed
US-7462714-B2 Process for the industrial synthesis of the methyl diester of 5-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) 2008-12-09 US disclosed
US-7462714-B2 Process for the industrial synthesis of the methyl diester of 5-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) 2008-12-09 US disclosed
US-7105683-B2 Process for the industrial synthesis of the methyl diester of 5-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) 2006-09-12 US disclosed
US-20060142567-A1 Process for the industrial synthesis of the methyl diester of 5-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) 2006-06-29 US disclosed
US-20060142596-A1 Process for the industrial synthesis of the methyl diester of 5-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) 2006-06-29 US disclosed
JP-2004269495-A INDUSTRIAL SYNTHESIS OF METHYL DIESTER OF 5-AMINO-3-CARBOXYMETHYL-4-CYANO-2-THIOPHENECARBOXYLIC ACID AND USE FOR SYNTHESIS OF (HYDRATED) BIVALENT SALT OF RANELIC ACID LAB SERVIER 2004-09-30 JP 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-1403264-A1 Process for the industrial synthesis of 5-amino-3-carboxymethyl-4-cyano-2-thiophenecarboxydimethylester Les Laboratoires Servier (FR) 2004-03-31 EP disclosed
US-20040059135-A1 Process for the industrial synthesis of the methyl diester of 5-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 (5 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 4527/4885ADORA2A 4645/4885MEN1 733/4885
US-20040059135-A1 Process for the industrial synthesis of the methyl diester of 5-amino-3-carboxymethyl-4-cyano-2-thiophenecarboxylic acid, and application to the synthesis of bivalent salts of ranelic acid and their hydrates CA7, CA2, SLC38A7 L3MBTL1 4793/4885ADORA2A 727/4885MEN1 2632/4885
US-20060142596-A1 Process for the industrial synthesis of the methyl diester of 5-amino-3-carboxymethyl-4-cyano-2-thiophenecarboxylic acid, and application to the synthesis of bivalent salts of ranelic acid and their hydrates CA7, CA2, DNMT1 L3MBTL1 4826/4885ADORA2A 738/4885MEN1 2621/4885
US-20120123131-A1 PROCESS FOR THE PREPARATION OF STRONTIUM RANELATE C1S, RANBP1, C5 L3MBTL1 4008/4885ADORA2A 3056/4885MEN1 333/4885
US-20060142567-A1 Process for the industrial synthesis of the methyl diester of 5-amino-3-carboxymethyl-4-cyano-2-thiophenecarboxylic acid, and application to the synthesis of bivalent salts of ranelic acid and their hydrates CA7, CA2, DNMT1 L3MBTL1 4826/4885ADORA2A 738/4885MEN1 2621/4885

“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.