SCHEMBL596979

SCHEMBL596979

Cc1cc(C(N)=O)ncc1C(O)c1c(F)ccc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
LCK P06239 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
HSD17B14 Q9BPX1 1/20 0.32
MET P08581 2/20 0.32
SIRT6 Q8N6T7 1/20 0.31
GRM2 Q14416 1/20 0.31
GRIN2B Q13224 1/20 0.31
SCN9A Q15858 3/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAP3K14 Q99558 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL2798386 0.86 NPC1 (0.34) TLR8TLR7LCKKMT2ANPC1
SCHEMBL2797438 0.86 LCK (0.33) TLR8TLR7LCKKMT2ANPC1
SCHEMBL5175093 0.80 GRM2 (0.33) GRM2GRIN2BSCN9A
SCHEMBL595572 0.80 PDE4B (0.32) KMT2ASCN9A
SCHEMBL13268313 0.80 LCK (0.32) TLR8TLR7LCKKMT2ANPC1
SCHEMBL596490 0.79 GRM2 (0.33) KMT2ANPC1RAB9ASMN1; SMN2GRM2
SCHEMBL2798628 0.78 BRAF (0.32) LCKGRM2
SCHEMBL596591 0.78 GRM4 (0.33) GRM2ALDH1A1
SCHEMBL595395 0.78 PSEN1 (0.34) KMT2AGRM2SCN9AMAP3K14KDM4E
SCHEMBL2796895 0.78 LIPC (0.32) TLR8TLR7LCKCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114886-B2 Pyridylmethylsulfone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-14 US disclosed
US-8114886-B2 Pyridylmethylsulfone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-14 US disclosed
US-8114886-B2 Pyridylmethylsulfone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-14 US disclosed
US-20090149439-A1 PYRIDYLMETHYSULFONE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-06-11 US disclosed
US-20090149439-A1 PYRIDYLMETHYSULFONE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-06-11 US disclosed
US-20090149439-A1 PYRIDYLMETHYSULFONE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-06-11 US disclosed
EP-1867636-A1 PYRIDYLMETHYLSULFONE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2007-12-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090149439-A1 PYRIDYLMETHYSULFONE DERIVATIVE APP, IAPP, BACE1 TLR8 4862/4885TLR7 4815/4885LCK 1798/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.