SCHEMBL809332

SCHEMBL809332

Cc1ccc2ccc(C(NC(=O)C(F)(F)F)C(C)(C)O)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.40
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 1/20 0.37
NR3C1 P04150 4/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
PGR P06401 1/20 0.35
MAPK1 P28482 2/20 0.34
CNR1 P21554 1/20 0.34
PTPN1 P18031 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 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
SCHEMBL809198 0.86 MMP9 (0.45) PDE2ANR3C1PGR
SCHEMBL809226 0.81 CNR1 (0.50) CYP1A2CNR1
SCHEMBL1720295 0.76 MAPK1 (0.45) PDE2AMAPK1
SCHEMBL206627 0.76 MAPK1 (0.45) PDE2AMAPK1
SCHEMBL1720296 0.76 MAPK1 (0.45) PDE2AMAPK1
SCHEMBL808976 0.75 MMP9 (0.47) PDE2ACYP1A2
SCHEMBL4344623 0.75 MMP9 (0.47) PDE2ACYP1A2
SCHEMBL18247937 0.75 PDE2A (0.53) PDE2A
SCHEMBL20266799 0.75 PDE2A (0.53) PDE2A
SCHEMBL4536126 0.74 MAPK1 (0.43) PDK1PDK2PDK3PDK4MAPK1

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 10 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-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 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
CN-101125833-A Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL CO (JP) 2008-02-20 CN 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
CN-1771236-A Optically active bisoxazoline compound, process for producing the same, and use thereof SUMITOMO CHEMICAL CO (JP) 2006-05-10 CN 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 PDE2A 1693/4885CYP2A6 206/4885CYP1A2 25/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE PDE2A 1693/4885CYP2A6 206/4885CYP1A2 25/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE PDE2A 1693/4885CYP2A6 206/4885CYP1A2 25/4885

“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.