SCHEMBL2798145

SCHEMBL2798145

COc1ccc(CSC(c2cnc(Br)cc2C)c2c(F)ccc(F)c2F)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.32
VNN1 O95497 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2E1 P05181 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C8 P10632 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2B6 P20813 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADRB3 P13945 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ASPH Q12797 1/20 0.31
RIOX2 Q8IUF8 1/20 0.31
KDM8 Q8N371 1/20 0.31
MEN1 O00255 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
SCHEMBL13262424 0.83 EPHX1 (0.34) VNN1CYP1A2CYP2D6CYP2C19ADRB3
SCHEMBL2797229 0.76
SCHEMBL595415 0.72
SCHEMBL596508 0.71 NFE2L2 (0.34) DHODHMAPTHTT
SCHEMBL596473 0.69 F2RL1 (0.31)
SCHEMBL2799474 0.69
SCHEMBL596932 0.69
SCHEMBL596417 0.67 TRPV3 (0.30)
SCHEMBL596883 0.64 MAPT (0.34) DHODHALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL27107675 0.63 NPC1 (0.46) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2204365-A1 ALKYLSULFONE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-07-07 EP disclosed
EP-2204365-A1 ALKYLSULFONE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-07-07 EP disclosed
US-20100168136-A1 ALKYLSULFONE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-07-01 US disclosed
US-20100168136-A1 ALKYLSULFONE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-07-01 US 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-20100168136-A1 ALKYLSULFONE DERIVATIVES BACE1, APP, AMY1A DHODH 4826/4885VNN1 2926/4885L3MBTL1 839/4885

“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.