SCHEMBL20007610

SCHEMBL20007610

[O-][S+](Cl)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.40
IDO1 P14902 2/20 0.39
MPL P40238 2/20 0.35
TMPRSS4 Q9NRS4 1/20 0.34
KIF11 P52732 1/20 0.33
PTPN5 P54829 1/20 0.33
GAA P10253 1/20 0.33
HSD11B1 P28845 1/20 0.33
DAO P14920 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CES2 O00748 2/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL29827588 0.69 PDE2A (0.50) PDE2AIDO1MPLPTPN5GAA
SCHEMBL2147584 0.69 PDE2A (0.50) PDE2AIDO1MPLPTPN5GAA
SCHEMBL20906637 0.69 ALDH1A1 (0.40) KIF11CES2TSHR
SCHEMBL5756914 0.69 PDE2A (0.46) PDE2AIDO1MPLHSD11B1TSHR
SCHEMBL30326145 0.69 PDE2A (0.46) PDE2AIDO1MPLHSD11B1TSHR
SCHEMBL23912793 0.68 VCAM1 (0.35) KIF11
SCHEMBL24052102 0.68
SCHEMBL2459420 0.68 PDE2A (0.48) PDE2AIDO1MPLPTPN5GAA
Lithium SCHEMBL2459422 0.68 PDE2A (0.48) PDE2AIDO1MPLPTPN5GAA
SCHEMBL7601744 0.66 CES2 (0.52) PDE2AIDO1MPLKIF11CES2

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-3515887-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2021-07-07 EP disclosed
WO-2018055524-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed