SCHEMBL597193

SCHEMBL597193

COc1ccc(SC(c2cnc(Br)cc2C)c2cc(F)ccc2F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
TRPA1 O75762 2/20 0.32
CTSA P10619 4/20 0.32
ALK Q9UM73 2/20 0.32
DHODH Q02127 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 1/20 0.31
TUBB1 Q9H4B7 2/20 0.31
PPARD Q03181 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
SCHEMBL596508 0.87 NFE2L2 (0.34) DHODHMAPT
SCHEMBL595505 0.87
SCHEMBL596841 0.86 MAPK14 (0.30) ALK
SCHEMBL595322 0.85 MEN1 (0.31)
SCHEMBL595608 0.85 ALDH1A1 (0.36) PDGFRBPDGFRACTSADHODHL3MBTL1
SCHEMBL595170 0.83 PSEN1 (0.37)
SCHEMBL596108 0.83
SCHEMBL596426 0.83 PSEN1 (0.30)
SCHEMBL595265 0.82 HDAC3 (0.30)
SCHEMBL596883 0.82 MAPT (0.34) DHODHMAPT

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 PDGFRB 2288/4885PDGFRA 3336/4885TRPA1 1069/4885

“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.