SCHEMBL808833

SCHEMBL808833

COc1ccc(CC(O)(CN(CC(O)(Cc2ccc(OC)cc2)C(c2ccc(OC)cc2)c2cccc3ccccc23)C(=O)C2(C(N)=O)CCC2)C(c2ccc(OC)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
KMT2A Q03164 8/20 0.36
MEN1 O00255 7/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 3/20 0.35
GLA P06280 2/20 0.35
PTPN1 P18031 1/20 0.35
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
UTS2R Q9UKP6 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
SCHEMBL808693 0.98 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL808786 0.97 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL809154 0.97 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL808684 0.91 OPRK1 (0.33) KDM4EALDH1A1L3MBTL1GAALMNA
SCHEMBL808714 0.89 OPRK1 (0.33) KDM4EALDH1A1L3MBTL1GAALMNA
SCHEMBL808820 0.89 OPRK1 (0.37) ALDH1A1GAALMNAHTT
SCHEMBL808631 0.88 OPRK1 (0.33) KDM4EALDH1A1L3MBTL1GAALMNA
SCHEMBL808726 0.88 POLB (0.38) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL808866 0.87 CASR (0.36)
SCHEMBL809138 0.87 OPRK1 (0.36) KMT2AMEN1ALDH1A1L3MBTL1GAA

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
EP-1593674-B1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-20 EP disclosed
US-7683215-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-23 US disclosed
US-7671213-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 US disclosed
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 US disclosed
US-7288674-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-30 US disclosed
US-20060149077-A1 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-07-06 US disclosed
EP-1593674-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-11-09 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 (3 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-20060149077-A1 Optically active bisoxazoline compounds, process for production of the same and use thereof ACSL3, ADSL, SQLE PSEN1 1671/4885PSEN2 2609/4885APH1B 2288/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE PSEN1 1671/4885PSEN2 2609/4885APH1B 2288/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE PSEN1 1671/4885PSEN2 2609/4885APH1B 2288/4885

“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.