SCHEMBL595572

SCHEMBL595572

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.32
KMT2A Q03164 1/20 0.32
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 1/20 0.31
SCN9A Q15858 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
RRM1 P23921 1/20 0.31
RRM2B Q7LG56 1/20 0.31
GRM4 Q14833 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
SCHEMBL596979 0.80 TLR8 (0.34) KMT2ASCN9A
SCHEMBL2798386 0.79 NPC1 (0.34) KMT2ACHRM2CHRM1RRM1RRM2B
SCHEMBL2797438 0.79 LCK (0.33) KMT2A
SCHEMBL5175093 0.78 GRM2 (0.33) SCN9ACHRM2CHRM1RRM1RRM2B
SCHEMBL595504 0.77 SCN9A (0.31) SCN9A
SCHEMBL596591 0.76 GRM4 (0.33) PDE4BCHRM2CHRM1RRM1RRM2B
SCHEMBL2798628 0.76 BRAF (0.32)
SCHEMBL2796895 0.76 LIPC (0.32) NR1H2NR1H3CHRM2CHRM1RRM1
SCHEMBL595395 0.76 PSEN1 (0.34) KMT2ASCN9ACHRM2CHRM1RRM1
SCHEMBL596185 0.76 GRM4 (0.34) KMT2ACHRM2CHRM1RRM1RRM2B

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 9 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
EP-2204365-A1 ALKYLSULFONE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-07-07 EP disclosed
US-20100168136-A1 ALKYLSULFONE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-07-01 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 (2 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 PDE4B 2813/4885KMT2A 4742/4885NR1H2 2211/4885
US-20100168136-A1 ALKYLSULFONE DERIVATIVES BACE1, APP, AMY1A PDE4B 4561/4885KMT2A 4719/4885NR1H2 1433/4885

“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.