SCHEMBL4761014

SCHEMBL4761014

CC(=O)NC(C)CCS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 4/20 0.37
MTNR1A P48039 6/20 0.36
MTNR1B P49286 6/20 0.36
ALDH1A1 P00352 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
ACACB O00763 5/20 0.34
PLA2G2C Q5R387 1/20 0.33

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
SCHEMBL6570307 0.98 ENPEP (0.36) ENPEPMTNR1AMTNR1BALDH1A1TRPV1
SCHEMBL6569603 0.98 ENPEP (0.36) ENPEPMTNR1AMTNR1BALDH1A1TRPV1
SCHEMBL20149719 0.83 PLA2G2C (0.45) MTNR1AMTNR1BALDH1A1PLA2G2C
SCHEMBL11693818 0.81 TGFBR1 (0.44) ENPEP
SCHEMBL6570305 0.80 MTNR1A (0.34) ENPEPMTNR1AMTNR1BALDH1A1TRPV1
SCHEMBL6569599 0.80 MTNR1A (0.34) ENPEPMTNR1AMTNR1BALDH1A1TRPV1
SCHEMBL11860565 0.78 MTNR1A (0.38) MTNR1AMTNR1BALDH1A1ACACB
SCHEMBL3210920 0.78 ENPEP (0.33) ENPEPALDH1A1TRPV1PLA2G2C
SCHEMBL2335324 0.77 TSHR (0.48) ENPEPALDH1A1ACACB
SCHEMBL16979552 0.77 ENPEP (0.43) ENPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4156795-B2 2008-09-24 JP claimed
EP-1051393-B1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS MERCK SANTE SAS (FR) 2003-10-01 EP claimed
JP-2002501040-A 2002-01-15 JP claimed
EP-1051393-A1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS LIPHA (FR) 2000-11-15 EP claimed
WO-1999037606-A1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS LIPHA (FR) 1999-07-29 WO claimed
EP-1051393-B1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS MERCK SANTE SAS (FR) 2003-10-01 EP disclosed
US-6265437-B1 ALCOHOLISM LIPHA (FR) 2001-07-24 US disclosed
EP-1051393-A1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS LIPHA (FR) 2000-11-15 EP disclosed
WO-1999037606-A1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS LIPHA (FR) 1999-07-29 WO disclosed