SCHEMBL595403

SCHEMBL595403

COc1ccc(S(=O)(=O)C(c2cnc(C(=O)NCCO)cc2C)c2cc(F)ccc2F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.38
MKNK2 Q9HBH9 3/20 0.37
MEP1B Q16820 1/20 0.37
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
GPR52 Q9Y2T5 2/20 0.36
CTSA P10619 4/20 0.35
FGFR1 P11362 1/20 0.35
FGFR4 P22455 1/20 0.35
NAMPT P43490 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL596698 0.90 PSEN1 (0.39) HIF1AMKNK2PSEN1PSEN2APH1B
SCHEMBL595589 0.89 MMP13 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL596911 0.89 PSEN1 (0.41) MKNK2PSEN1PSEN2APH1BNCSTN
SCHEMBL597115 0.88 PSEN1 (0.40) MKNK2PSEN1PSEN2APH1BNCSTN
SCHEMBL596444 0.87 PSEN1 (0.37) MKNK2PSEN1PSEN2APH1BNCSTN
SCHEMBL596717 0.87 PSEN1 (0.38) MEP1BPSEN1PSEN2APH1BNCSTN
SCHEMBL596872 0.86 KAT6A (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL596425 0.86 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4086633 0.86 PSEN1 (0.38) HIF1APSEN1PSEN2APH1BNCSTN
SCHEMBL595702 0.85 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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 HIF1A 4110/4885MKNK2 927/4885MEP1B 837/4885

“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.