SCHEMBL6555490

SCHEMBL6555490

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
ADORA2A P29274 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
BRCA1 P38398 1/20 0.43
ALDH1A1 P00352 9/20 0.42
HSD17B10 Q99714 6/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39
TNNC1 P63316 1/20 0.39
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 3/20 0.37
KRAS P01116 1/20 0.36
CISD2 Q8N5K1 1/20 0.36
USP2 O75604 1/20 0.35
MAPT P10636 3/20 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
SCHEMBL1922086 0.90 L3MBTL1 (0.56) L3MBTL1ADORA2AMEN1KMT2ABRCA1
SCHEMBL4812691 0.83 L3MBTL1 (0.47) L3MBTL1ADORA2AMEN1KMT2ABRCA1
SCHEMBL6918767 0.80 L3MBTL1 (0.52) L3MBTL1ADORA2AMEN1KMT2ABRCA1
SCHEMBL3153974 0.79 PLA2G1B (0.38) KMT2AALDH1A1HSD17B10TSHRMAPK1
SCHEMBL2554376 0.75 L3MBTL1 (0.74) L3MBTL1ADORA2AMEN1KMT2ABRCA1
SCHEMBL4382831 0.74 ALDH1A1 (0.37) L3MBTL1MEN1KMT2ABRCA1ALDH1A1
SCHEMBL13984089 0.74 L3MBTL1 (0.41) L3MBTL1ADORA2AMEN1KMT2ABRCA1
SCHEMBL10508850 0.73 ADORA2A (0.49) L3MBTL1ADORA2AMEN1KMT2ABRCA1
SCHEMBL1313857 0.72 ALDH1A1 (0.62) L3MBTL1ADORA2AMEN1KMT2AALDH1A1
SCHEMBL1922260 0.70 PLA2G1B (0.43) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2004029035-A1 NOVEL METHOD FOR THE INDUSTRIAL SYNTHESIS OF THE METHYL DIESTER OF 5-AMINO-3-CARBOXYMETHYL-4-CYANO-2-THIOPHENECARBOXYLIC ACID AND APPLICATION OF DIVALENT SALTS OF RANELIC ACID AND THE HYDRATES THEREOF IN SAID SYNTHESIS LES LABORATOIRES SERVIER (FR) 2004-04-08 WO claimed
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 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 disclosed
WO-2004029035-A1 NOVEL METHOD FOR THE INDUSTRIAL SYNTHESIS OF THE METHYL DIESTER OF 5-AMINO-3-CARBOXYMETHYL-4-CYANO-2-THIOPHENECARBOXYLIC ACID AND APPLICATION OF DIVALENT SALTS OF RANELIC ACID AND THE HYDRATES THEREOF IN SAID SYNTHESIS 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-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
EP-1403266-A1 Process for the industrial synthesis of strontium ranelate and hydrates thereof LES LABORATOIRES SERVIER (FR) 2004-03-31 EP disclosed