SCHEMBL596873

SCHEMBL596873

CCOC(=S)Sc1ccc(Cl)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.36
KMT2A Q03164 4/20 0.35
PKM P14618 2/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 2/20 0.34
TSHR P16473 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1632856 0.84 MAPT (0.35) KMT2APKMMEN1SMN1; SMN2ALDH1A1
SCHEMBL28573075 0.83 LMNA (0.41) KMT2AMEN1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1633719 0.83 ALDH1A1 (0.41) KMT2APKMMEN1CYP2C9CYP2C19
SCHEMBL27719945 0.82 SMN1; SMN2 (0.34) KMT2APKMSMN1; SMN2ALDH1A1MAPT
SCHEMBL22816343 0.81 ALDH1A1 (0.35) KMT2APKMMEN1SMN1; SMN2ALDH1A1
SCHEMBL595607 0.81 ALDH1A1 (0.34) KMT2APKMMEN1SMN1; SMN2ALDH1A1
SCHEMBL4299182 0.79 MEN1 (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL19778352 0.78 ALDH1A1 (0.34) PKMCYP3A4SMN1; SMN2ALDH1A1MAPT
SCHEMBL6974279 0.77 DHODH (0.34) KMT2APKMMEN1SMN1; SMN2ALDH1A1
SCHEMBL10941412 0.76 ALDH1A1 (0.35) PKMSMN1; SMN2ALDH1A1MAPTKDM4E

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 8 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
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 MCL1 4109/4885KMT2A 4742/4885PKM 1418/4885

“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.