SCHEMBL4086111

SCHEMBL4086111

Cc1cc(C(=O)NCCNC(=O)O)ncc1C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.39
PSEN1 P49768 5/20 0.39
PSEN2 P49810 5/20 0.39
APH1B Q8WW43 5/20 0.39
NCSTN Q92542 5/20 0.39
APH1A Q96BI3 5/20 0.39
PSENEN Q9NZ42 5/20 0.39
EPHX2 P34913 8/20 0.38
MMP13 P45452 1/20 0.35

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
SCHEMBL595319 0.93 PSEN1 (0.38) GCGRPSEN1PSEN2APH1BNCSTN
SCHEMBL596911 0.93 PSEN1 (0.41) GCGRPSEN1PSEN2APH1BNCSTN
SCHEMBL596002 0.93 GCGR (0.47) GCGR
SCHEMBL10251662 0.92 PSEN1 (0.41) GCGRPSEN1PSEN2APH1BNCSTN
SCHEMBL596339 0.91 PSEN1 (0.40) GCGRPSEN1PSEN2APH1BNCSTN
SCHEMBL595702 0.90 PSEN1 (0.42) GCGRPSEN1PSEN2APH1BNCSTN
SCHEMBL595772 0.90 PSEN1 (0.40) GCGRPSEN1PSEN2APH1BNCSTN
SCHEMBL597115 0.90 PSEN1 (0.40) GCGRPSEN1PSEN2APH1BNCSTN
SCHEMBL4086633 0.90 PSEN1 (0.38) GCGRPSEN1PSEN2APH1BNCSTN
SCHEMBL596922 0.89 PSEN1 (0.39) GCGRPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GCGR 2481/4885PSEN1 4/4885PSEN2 5/4885

“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.