SCHEMBL7537846

SCHEMBL7537846

COC(=O)[C@H](C)N(C(=O)[C@@H](N)CC(=O)O)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PLA2G1B P04054 1/20 0.36
HTT P42858 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
HPGD P15428 4/20 0.35
CTSC P53634 2/20 0.34
RORC P51449 1/20 0.34
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
ESRRB O95718 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 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
SCHEMBL7543379 0.89 ALDH1A1 (0.37) HPGDCTSCRAB9AALDH1A1SMN1; SMN2
SCHEMBL23923952 0.81 KMT2A (0.42) KMT2AMEN1NPSR1PLA2G1BHTT
SCHEMBL421787 0.81 KMT2A (0.42) KMT2AMEN1NPSR1PLA2G1BHTT
SCHEMBL8425360 0.74 ALPI (0.49) HPGDCTSCSLC1A3SLC1A2SLC1A1
SCHEMBL10533268 0.73 KCNA5 (0.42) KMT2AMEN1NPSR1PLA2G1BHTT
SCHEMBL6208309 0.71 LTA4H (0.37) KMT2AMEN1NPSR1PLA2G1BHTT
SCHEMBL9514133 0.70 MEN1 (0.43) KMT2AMEN1RORCALDH1A1SMN1; SMN2
SCHEMBL6690977 0.70 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2GAALTA4H
SCHEMBL1434038 0.70 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2GAALTA4H
Aspartame SCHEMBL2107955 0.70 ALDH1A1 (0.52) RAB9AALDH1A1GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837877-B8 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS PHARMACON FORSCHUNG & BERATUNG GMBH (AT) 2002-05-15 EP claimed
EP-0837877-B1 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS PHARMACON FORSCHUNG & BERATUNG GMBH (AT) 2001-08-16 EP claimed
US-5929253-A L-aspartyl-L-thienylalanine methyl ester, process for its preparation and use as sweetener PHARMACON FORSCHUNG UND BERATUNG GMBH (AT) 1999-07-27 US claimed
EP-0837877-A1 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS HOLLAND SWEETENER COMPANY V.O.F. (NL) 1998-04-29 EP claimed
WO-1996037507-A1 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS HOLLAND SWEETENER COMPANY V.O.F. (NL) 1996-11-28 WO claimed
EP-0837877-B8 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS PHARMACON FORSCHUNG & BERATUNG GMBH (AT) 2002-05-15 EP disclosed
EP-0837877-B8 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS PHARMACON FORSCHUNG & BERATUNG GMBH (AT) 2002-05-15 EP disclosed
EP-0837877-B1 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS PHARMACON FORSCHUNG & BERATUNG GMBH (AT) 2001-08-16 EP disclosed
EP-0837877-B1 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS PHARMACON FORSCHUNG & BERATUNG GMBH (AT) 2001-08-16 EP disclosed
US-5929253-A L-aspartyl-L-thienylalanine methyl ester, process for its preparation and use as sweetener PHARMACON FORSCHUNG UND BERATUNG GMBH (AT) 1999-07-27 US disclosed
US-5929253-A L-aspartyl-L-thienylalanine methyl ester, process for its preparation and use as sweetener PHARMACON FORSCHUNG UND BERATUNG GMBH (AT) 1999-07-27 US disclosed
US-5929253-A L-aspartyl-L-thienylalanine methyl ester, process for its preparation and use as sweetener PHARMACON FORSCHUNG UND BERATUNG GMBH (AT) 1999-07-27 US disclosed
EP-0837877-A1 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS HOLLAND SWEETENER COMPANY V.O.F. (NL) 1998-04-29 EP disclosed
EP-0837877-A1 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS HOLLAND SWEETENER COMPANY V.O.F. (NL) 1998-04-29 EP disclosed
WO-1996037507-A1 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS HOLLAND SWEETENER COMPANY V.O.F. (NL) 1996-11-28 WO disclosed
WO-1996037507-A1 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS HOLLAND SWEETENER COMPANY V.O.F. (NL) 1996-11-28 WO disclosed