SCHEMBL538086

SCHEMBL538086

N[C@@H](CC(=O)OS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 7/20 0.45
SLC1A3 P43003 6/20 0.45
SLC1A2 P43004 6/20 0.45
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
KYNU Q16719 2/20 0.42
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
GRIK1 P39086 3/20 0.40
LARS1 Q9P2J5 1/20 0.39
GRIK2 Q13002 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
SCHEMBL3227102 0.89 LARS1 (0.38) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL10590019 0.86 ALDH1A1 (0.47) SLC1A1SLC1A3SLC1A2GRIK1GRIK2
SCHEMBL27770238 0.85 SLC1A3 (0.37) SLC1A1SLC1A3SLC1A2PKMLARS1
SCHEMBL27791566 0.85 SLC1A3 (0.37) SLC1A1SLC1A3SLC1A2PKMLARS1
SCHEMBL27791598 0.85 SLC1A3 (0.37) SLC1A1SLC1A3SLC1A2PKMLARS1
SCHEMBL27725760 0.85 KMT2A (0.42) LARS1
SCHEMBL28335525 0.84 LTA4H (0.44) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL27770237 0.83 ALDH1A1 (0.37) SLC1A1SLC1A3SLC1A2LARS1
SCHEMBL27791469 0.83 ALDH1A1 (0.37) SLC1A1SLC1A3SLC1A2LARS1
SCHEMBL3037681 0.80 KMT2A (0.46) LARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3242869-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION AND PAIN Cellixbio Private Limited (IN) 2017-11-15 EP disclosed
WO-2016110865-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION AND PAIN CELLIX BIO PRIVATE LIMITED (IN) 2016-07-14 WO disclosed
EP-2414366-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE Novartis AG (CH) 2012-02-08 EP disclosed
WO-2010112520-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2010-10-07 WO disclosed