SCHEMBL7075757

SCHEMBL7075757

CS(=O)(=O)N1CC(=S)C[C@H]1C(=O)O.N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 4/20 0.45
DPP4 P27487 1/20 0.43
FAP Q12884 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
LTA4H P09960 5/20 0.42
PPARG P37231 4/20 0.42
PPARA Q07869 4/20 0.42
PPARD Q03181 1/20 0.42
LAP3 P28838 1/20 0.41
S1PR5 Q9H228 1/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
ERAP2 Q6P179 1/20 0.40

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
SCHEMBL6935180 0.86 DPP4 (0.47) LNPEPDPP4FAPDPP8DPP9
SCHEMBL8202004 0.83 DPP4 (0.45) LNPEPDPP4FAPDPP8DPP9
SCHEMBL6935321 0.83 DPP4 (0.45) LNPEPDPP4FAPDPP8DPP9
SCHEMBL6935894 0.82 YAP1 (0.48) LNPEPDPP4FAPDPP8DPP9
SCHEMBL6934215 0.81 DPP4 (0.42) LNPEPDPP4FAPDPP8DPP9
SCHEMBL6933977 0.80 LTA4H (0.48) LNPEPDPP4FAPDPP8DPP9
SCHEMBL7908667 0.79 DPP4 (0.44) LNPEPDPP4FAPDPP8DPP9
SCHEMBL6930978 0.78 LTA4H (0.46) LNPEPDPP4FAPDPP8DPP9
SCHEMBL7905108 0.77 GPR132 (0.43) DPP4FAPDPP8DPP9DPP7
SCHEMBL7896696 0.77 RAB9A (0.44) LNPEPDPP4FAPDPP8DPP9

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