SCHEMBL2823892

SCHEMBL2823892

CCCCS(=O)(=O)C(c1cnc(C(N)=O)cc1C)c1c(F)ccc(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL2798628 0.94 BRAF (0.32) BRAF
SCHEMBL2793997 0.92 PDGFRB (0.31)
SCHEMBL2799941 0.92 BRAF (0.30) BRAF
SCHEMBL2798514 0.92 GRM4 (0.31)
SCHEMBL2798442 0.89 NR3C1 (0.32) CYP3A4KMT2A
SCHEMBL2793751 0.88 CHRM2 (0.32)
SCHEMBL2797362 0.87 NR3C1 (0.31) CYP3A4
SCHEMBL2795101 0.87 LIPC (0.35) BRAFCYP3A4KMT2A
SCHEMBL2799426 0.86 NR3C1 (0.32) CYP3A4KMT2A
SCHEMBL2798714 0.86 HSD17B1 (0.30)

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 3 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
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 BRAF 1162/4885KDM4E 4679/4885MEN1 603/4885

“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.