SCHEMBL14745238

SCHEMBL14745238

CCc1c(-c2ccc(F)cc2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.42
DHODH Q02127 1/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
LTB4R Q15722 5/20 0.37
LTB4R2 Q9NPC1 5/20 0.37
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL14745819 0.90 GSK3B (0.43) SERPINE1PDE3BPDE3AKDM4EGAA
SCHEMBL14740973 0.87 SERPINE1 (0.47) SERPINE1DHODHKDM4EGAA
SCHEMBL14741114 0.84 SERPINE1 (0.42) SERPINE1PDE3BPDE3AKDM4EGAA
SCHEMBL17595254 0.84 MEN1 (0.38) PDE3BPDE3AKDM4EGAA
SCHEMBL14745239 0.83 PDE3B (0.43) SERPINE1DHODHPDE3BPDE3A
SCHEMBL14745815 0.83 PDE3B (0.41) PDE3BPDE3A
SCHEMBL14745498 0.82 PDE3B (0.41) SERPINE1DHODHPDE3BPDE3AGAA
SCHEMBL17594868 0.81 KIF11 (0.38) SERPINE1DHODHPDE3BPDE3A
SCHEMBL14741008 0.81 PDE3B (0.52) SERPINE1DHODHPDE3BPDE3AKDM4E
SCHEMBL17594969 0.81 KIF11 (0.39) DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed