SCHEMBL595608

SCHEMBL595608

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.33
CTSA P10619 8/20 0.32
DHODH Q02127 1/20 0.32
TUBB1 Q9H4B7 2/20 0.32
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
PPARD Q03181 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KCNH2 Q12809 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ERN1 O75460 1/20 0.31
GAA P10253 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
SCHEMBL595506 0.88 NFE2L2 (0.34) POLBMAPTDHODHERN1GAA
SCHEMBL595932 0.87
SCHEMBL595974 0.87 TERT (0.31) MEN1KMT2AHTR2AHTR2CKCNH2
SCHEMBL596248 0.86 MEN1 (0.32) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL597193 0.85 PDGFRB (0.33) MAPTCTSADHODHTUBB1PDGFRB
SCHEMBL596011 0.84 PSEN1 (0.38) ALDH1A1HPGDL3MBTL1
SCHEMBL595538 0.84
SCHEMBL596843 0.84 PSEN1 (0.31)
SCHEMBL596550 0.83 HTR2A (0.33) HTR2AHTR2CKCNH2
SCHEMBL596304 0.83 MAPT (0.35) ALDH1A1HPGDPOLBMAPTDHODH

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 ALDH1A1 3440/4885HPGD 1124/4885MEN1 1150/4885

“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.