SCHEMBL6934218

SCHEMBL6934218

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.43
GRB2 P62993 1/20 0.38
OPRM1 P35372 4/20 0.36
OPRD1 P41143 4/20 0.36
OPRK1 P41145 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
SLC7A5 Q01650 3/20 0.35
CXCR2 P25025 2/20 0.34
CXCR1 P25024 1/20 0.34
ALPI P09923 1/20 0.34
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.34
XIAP P98170 1/20 0.34
DPP4 P27487 2/20 0.34
FAP Q12884 2/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
TPH1 P17752 3/20 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
SCHEMBL6932583 0.85 PTPN1 (0.46) PTPN1GRB2OPRM1OPRD1OPRK1
SCHEMBL7906161 0.85 GRB2 (0.47) PTPN1GRB2SLC7A5ALPIPKM
Phenylalanine SCHEMBL7906184 0.83 SLC7A5 (0.52) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6935180 0.82 DPP4 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6931447 0.81 CTSL (0.40) PTPN1SLC7A5ALPIPKMPTGS1
SCHEMBL7904116 0.81 SLC7A5 (0.45) OPRM1OPRD1OPRK1SLC7A5ALPI
SCHEMBL6933972 0.81 MAOB (0.46) PTPN1ITGB3ITGA2BDPP4FAP
SCHEMBL7905125 0.80 ITGB1 (0.43) PTPN1OPRM1OPRD1OPRK1ITGB3
SCHEMBL6934867 0.80 LTA4H (0.39) PTPN1DPP4DPP8DPP7TPH1
SCHEMBL6936891 0.80 S1PR5 (0.47) PTPN1ITGB3ITGA2BSLC7A5ALPI

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