SCHEMBL2798012

SCHEMBL2798012

COC(=O)c1cc(C)c(C(SCCCO[Si](C)(C)C(C)(C)C)c2c(F)ccc(F)c2F)cn1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
PDE5A O76074 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
GABRA1 P14867 1/20 0.31
HPGD P15428 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
CYP2C19 P33261 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 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
SCHEMBL2795929 0.86 GABRA1 (0.34) KDM4EGABRPGABRDPDE5AALDH1A1
SCHEMBL2795914 0.85 GABRA1 (0.35) KDM4EGABRPGABRDPDE5AALDH1A1
SCHEMBL2796340 0.84
SCHEMBL2796960 0.83 GABRA1 (0.34) KDM4EGABRPGABRDPDE5AALDH1A1
SCHEMBL2799982 0.72 NR3C1 (0.33) CYP3A4
SCHEMBL13262577 0.71 MAPK1 (0.36) KDM4EGABRPGABRDPDE5AALDH1A1
SCHEMBL13262432 0.70 MAPK1 (0.38) KDM4EGABRPGABRDPDE5AALDH1A1
SCHEMBL2795813 0.69
SCHEMBL2793819 0.69
SCHEMBL2796707 0.69 DRD2 (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 KDM4E 4679/4885GABRP 2883/4885GABRD 3510/4885

“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.