SCHEMBL7800513

SCHEMBL7800513

CCC1SC(=O)N(Cc2ccc(NS(C)(=O)=O)cc2)N=C1c1ccc(OC)c(OC(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.41
PDE4B Q07343 12/20 0.41
PDE4A P27815 11/20 0.41
PDE4C Q08493 11/20 0.41
ABCB1 P08183 1/20 0.39

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
SCHEMBL7798769 0.97 PDE4D (0.41) PDE4DPDE4BPDE4APDE4CABCB1
SCHEMBL7792921 0.93 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CABCB1
SCHEMBL7801817 0.89 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CABCB1
SCHEMBL7798782 0.89 PDE4D (0.44) PDE4DPDE4BPDE4APDE4CABCB1
SCHEMBL7802760 0.89 PDE4D (0.41) PDE4DPDE4BPDE4APDE4CABCB1
SCHEMBL7801978 0.89 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CABCB1
SCHEMBL7800875 0.88 PDE4D (0.53) PDE4DPDE4BPDE4APDE4C
SCHEMBL7798692 0.87 PDE4D (0.44) PDE4DPDE4BPDE4APDE4C
SCHEMBL7798881 0.87 PDE4D (0.44) PDE4DPDE4BPDE4APDE4CABCB1
SCHEMBL7800807 0.87 PDE4D (0.41) PDE4DPDE4BPDE4APDE4CABCB1

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-0723962-B1 Arylalkyl-thiadiazinones MERCK PATENT GMBH (DE) 2001-07-04 EP disclosed
US-6025354-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-02-15 US disclosed
US-5747489-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 US disclosed
EP-0723962-A1 Arylalkyl-thiadiazinones MERCK PATENT GmbH (DE) 1996-07-31 EP disclosed