SCHEMBL596982

SCHEMBL596982

Cc1cc(C(N)=O)ncc1C(Sc1ccc(F)cc1)c1cc(F)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
MAPK14 Q16539 3/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
CYP3A4 P08684 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
HSD17B14 Q9BPX1 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 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
SCHEMBL595767 0.95 PSEN1 (0.36) GRM2MAPK14NR3C1PGRCYP3A4
SCHEMBL13799668 0.92 KMT2A (0.41) KDM4EHPGDNR3C1PGRCYP3A4
SCHEMBL595215 0.90 KMO (0.38) KDM4ECES2CES1MEN1KMT2A
SCHEMBL596467 0.88 NR3C1 (0.33) GRM2NR3C1PGRCYP3A4KMT2A
SCHEMBL596490 0.87 GRM2 (0.33) GRM2ALDH1A1KDM4EHPGDMAPK14
SCHEMBL596026 0.84 PSEN1 (0.37) KDM4EMEN1KMT2AATMKCNQ3
SCHEMBL595991 0.83 GCGR (0.38) MAPK14GAA
SCHEMBL14339006 0.82 PSEN1 (0.36) ALDH1A1MEN1KMT2AATMMAPT
SCHEMBL596841 0.80 MAPK14 (0.30) MAPK14
SCHEMBL595974 0.79 TERT (0.31) MEN1KMT2AATM

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 6 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
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 GRM2 1339/4885ALDH1A1 3440/4885KDM4E 4362/4885

“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.