SCHEMBL596591

SCHEMBL596591

Cc1cc(C(N)=O)ncc1C(c1c(F)ccc(F)c1F)S(=O)(=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.33
GRM2 Q14416 3/20 0.32
KAT6A Q92794 6/20 0.32
BRD4 O60885 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
MALT1 Q9UDY8 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
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL595395 0.92 PSEN1 (0.34) GRM4GRM2CHRM2CHRM1RRM1
SCHEMBL595378 0.91 P4HTM (0.36) GRM4KAT6AALDH1A1HSD17B10
SCHEMBL595686 0.91 PSEN1 (0.38) GRM4CHRM2CHRM1RRM1RRM2B
SCHEMBL596185 0.89 GRM4 (0.34) GRM4CHRM2CHRM1RRM1RRM2B
SCHEMBL595995 0.88 KMT2A (0.40) GRM4CHRM2CHRM1RRM1RRM2B
SCHEMBL595782 0.86 GRM2 (0.35) GRM2CHRM2CHRM1RRM1RRM2B
SCHEMBL595959 0.85 CFTR (0.36)
SCHEMBL596892 0.85
SCHEMBL597072 0.85 MMP13 (0.35) GRM4KAT6A
SCHEMBL597018 0.82 AKT1 (0.33) CHRM2CHRM1RRM1RRM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867636-B1 PYRIDYLMETHYLSULFONE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-05 EP 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-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 GRM4 2952/4885GRM2 1339/4885KAT6A 4005/4885

“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.