SCHEMBL28488180

SCHEMBL28488180

COC(=O)c1cc(OS(=O)(=O)C(F)(F)F)[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HCAR2 Q8TDS4 3/20 0.35
GAA P10253 1/20 0.35
CXCR2 P25025 1/20 0.34
ALPL P05186 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CFTR P13569 1/20 0.33
DAO P14920 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL28488240 0.85 HCAR2 (0.43) MEN1KMT2AHCAR2DAO
SCHEMBL17224847 0.75 MAPK1 (0.51) MAPK1POLBNPC1RAB9AMEN1
SCHEMBL19780067 0.72 MAPK1 (0.59) MAPK1POLBNPC1RAB9AMEN1
SCHEMBL17224867 0.71 MAPK1 (0.57) MAPK1POLBNPC1RAB9AMEN1
SCHEMBL17158810 0.70 PKM (0.40) MAPK1NPC1CXCR2KDM4EALDH1A1
SCHEMBL4391166 0.69 NOTUM (0.45) POLBRAB9AL3MBTL1GAACXCR2
SCHEMBL732952 0.69 NOTUM (0.45) POLBRAB9AL3MBTL1GAACXCR2
SCHEMBL1267225 0.68 MAPK1 (0.79) MAPK1POLBNPC1RAB9AMEN1
SCHEMBL12077583 0.68 PIM1 (0.38) GAACXCR2MAPT
SCHEMBL4517538 0.68 MAPK1 (0.53) MAPK1POLBNPC1RAB9AMEN1

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
CN-112279808-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-03-08 CN disclosed
CN-112250627-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-02-02 CN disclosed
CN-112279808-A Cystic fibrosis transmembrane transduction modulator modulators 弗特克斯药品有限公司 2021-01-29 CN disclosed
CN-107690281-B Cystic fibrosis transmembrane transduction modulator modulators 弗特克斯药品有限公司 2020-11-17 CN disclosed