SCHEMBL20007697

SCHEMBL20007697

N#Cc1ccccc1S(=O)(=O)N1CC[C@](O)(CO)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 7/20 0.52
NR3C1 P04150 1/20 0.50
PKM P14618 1/20 0.49
KDM4E B2RXH2 2/20 0.47
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.44
RBP1 P09455 1/20 0.43
GPR183 P32249 1/20 0.43
CTDSP1 Q9GZU7 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL20003557 0.83 TRPV4 (0.59) TRPV4
SCHEMBL20007774 0.81 TRPV4 (0.55) TRPV4NR3C1KDM4EALDH1A1RBP1
SCHEMBL23613832 0.81 TRPV4 (0.57) TRPV4
SCHEMBL20007296 0.81 TRPV4 (0.57) TRPV4
SCHEMBL19158885 0.80 PKM (0.54) TRPV4NR3C1PKMKDM4EATM
SCHEMBL20003515 0.76 TRPV4 (0.52) TRPV4RBP1
SCHEMBL20003513 0.76 TRPV4 (0.61) TRPV4
SCHEMBL23176371 0.76 TRPV4 (0.55) TRPV4
SCHEMBL20003561 0.76 TRPV4 (0.55) TRPV4
SCHEMBL23614016 0.76 TRPV4 (0.55) TRPV4

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-3515888-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2021-03-31 EP disclosed
WO-2018055524-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed