SCHEMBL596408

SCHEMBL596408

Cc1cc(C(=O)NCO)ncc1C(c1c(F)ccc(F)c1F)S(=O)(=O)c1ccc2ccoc2c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 1/20 0.33
ITGAV P06756 1/20 0.32
MMP13 P45452 1/20 0.31
LMNA P02545 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
USP9X Q93008 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL597018 0.87 AKT1 (0.33) USP9X
SCHEMBL596988 0.87 GRIN2A (0.39) GRIN1GRIN2AGRIN2BMMP13LMNA
SCHEMBL10285991 0.87 S1PR1 (0.36) GRIN1GRIN2AGRIN2BS1PR1S1PR3
SCHEMBL597589 0.85 MMP13 (0.35) GRIN1GRIN2AGRIN2BMMP13POLB
SCHEMBL597835 0.84 PSEN1 (0.38) GRIN1GRIN2AMMP13LMNA
SCHEMBL597072 0.83 MMP13 (0.35) GRIN1GRIN2AGRIN2BMMP13LMNA
SCHEMBL596923 0.82 METAP2 (0.36) GRIN1GRIN2AMMP13POLB
SCHEMBL596328 0.82 P2RX7 (0.35) GRIN1GRIN2AMMP13
SCHEMBL596896 0.81 MMP13 (0.33) GRIN1GRIN2AGRIN2BMMP13
SCHEMBL597108 0.80 CFTR (0.39) GRIN1GRIN2A

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 5 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-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 GRIN1 1289/4885GRIN2A 1776/4885GRIN2B 1084/4885

“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.