SCHEMBL4760134

SCHEMBL4760134

CCCC(=O)NCCCS(=O)(=O)O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.66
NAAA Q02083 1/20 0.52
EPHX2 P34913 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FAAH O00519 3/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
DNM1 Q05193 1/20 0.42

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
SCHEMBL6569733 0.98 CASP2 (0.63) CASP2NAAAEPHX2MEN1KMT2A
SCHEMBL6571910 0.98 CASP2 (0.63) CASP2NAAAEPHX2MEN1KMT2A
SCHEMBL17753990 0.96 CASP2 (0.66) CASP2NAAAEPHX2MEN1KMT2A
SCHEMBL4760086 0.91 CASP2 (0.58) CASP2NAAAEPHX2MEN1KMT2A
SCHEMBL18139443 0.89 CASP2 (0.61) CASP2NAAAEPHX2FAAHALDH1A1
SCHEMBL6569046 0.89 CASP2 (0.56) CASP2NAAAEPHX2MEN1KMT2A
SCHEMBL11396166 0.88 CASP2 (0.59) CASP2NAAAEPHX2MEN1KMT2A
SCHEMBL18141705 0.87 CASP2 (0.65) CASP2NAAAEPHX2FAAHALDH1A1
SCHEMBL18140129 0.87 CASP2 (0.65) CASP2NAAAEPHX2FAAHALDH1A1
SCHEMBL18140026 0.87 CASP2 (0.65) CASP2NAAAEPHX2FAAHALDH1A1

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