SCHEMBL808574

SCHEMBL808574

Cc1cccc(CC(O)(CN(CC(O)(Cc2cccc(C)c2)C(c2cccc(C)c2)c2cccc3ccccc23)C(=O)C2(C(N)=O)CC2)C(c2cccc(C)c2)c2cccc3ccccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSG P08311 3/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
OPRM1 P35372 2/20 0.31
OPRD1 P41143 1/20 0.31
DRD4 P21917 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
F7 P08709 1/20 0.31
KCNH2 Q12809 2/20 0.31
ACP3 P15309 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
SCHEMBL808615 0.97 OPRK1 (0.34) OPRK1MEN1KMT2ACTSGALDH1A1
SCHEMBL809277 0.97 OPRK1 (0.34) OPRK1MEN1KMT2ACTSGALDH1A1
SCHEMBL809082 0.96 OPRK1 (0.33) OPRK1MEN1KMT2ACTSGALDH1A1
SCHEMBL808649 0.88 OPRK1 (0.40) OPRK1CTSGALDH1A1OPRM1OPRD1
SCHEMBL808721 0.87 POLB (0.39) OPRK1MEN1KMT2AALDH1A1MAPT
SCHEMBL809138 0.87 OPRK1 (0.36) OPRK1MEN1KMT2ACTSGALDH1A1
SCHEMBL808596 0.87 MC4R (0.36) OPRK1CTSGALDH1A1OPRM1OPRD1
SCHEMBL808820 0.85 OPRK1 (0.37) OPRK1CTSGALDH1A1OPRM1OPRD1
SCHEMBL809299 0.85 OPRK1 (0.37) OPRK1CTSGALDH1A1OPRM1OPRD1
SCHEMBL2787074 0.84 POLB (0.38) MEN1KMT2AALDH1A1MAPT

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 OPRK1 334/4885MEN1 3119/4885KMT2A 4666/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE OPRK1 334/4885MEN1 3119/4885KMT2A 4666/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE OPRK1 334/4885MEN1 3119/4885KMT2A 4666/4885

“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.