SCHEMBL6931447

SCHEMBL6931447

CC(=O)N1CC(=S)C[C@H]1C(=O)O.N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.40
CACNA1B Q00975 8/20 0.40
SLC7A5 Q01650 3/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
PRSS1 P07477 3/20 0.37
TMPRSS15 P98073 3/20 0.37
PTPN1 P18031 1/20 0.36
PARP10 Q53GL7 1/20 0.36

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
SCHEMBL6933966 0.87 ITGB1 (0.37) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7906150 0.87 SLC7A5 (0.43) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL7906184 0.87 SLC7A5 (0.52) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL8200203 0.87 TPH1 (0.38) SLC7A5PTPN1
SCHEMBL7896737 0.86 SLC7A5 (0.41) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6935180 0.86 DPP4 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7904116 0.85 SLC7A5 (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6931396 0.85 SLC7A5 (0.34) SLC7A5PRSS1TMPRSS15PTPN1
SCHEMBL6936891 0.84 S1PR5 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7902836 0.84 ITGA4 (0.35) PRSS1TMPRSS15PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984981-B1 ANTI-INFLAMMATORY TYROSINE DERIVATIVES CELLTECH THERAPEUTICS LTD (GB) 2003-12-17 EP disclosed
US-6093696-A N-ACETYL-D-THIOPROLINE-(O-2,6-DICHLOROBENZYL)-L-TYROSINE, FOR EXAMPLE; SELECTIVELY INHIBIT THE ALPHA 4 SUBGROUP OF INTEGRINS FROM BINDING TO THEIR LIGANDS; USE IN PROPHYLAXIS OR TREATMENT OF IMMUNE OR INFLAMMATORY DISEASES CELLTECH THERAPEUTICS, LIMITED (GB) 2000-07-25 US disclosed