Sugi Predict

Sugi Predict / Compounds / SCHEMBL808828

SCHEMBL808828

SCHEMBL808828

Cc1ccc(C(NC(=O)C(F)(F)F)C(C)(C)O)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 4/20 0.37
▸ PDK2 Q15119 4/20 0.37
▸ PDK3 Q15120 4/20 0.37
▸ PDK4 Q16654 4/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KLK7 P49862 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ KEAP1 Q14145 2/20 0.34
▸ NPY5R Q15761 2/20 0.33
▸ KCNJ11 Q14654 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ EGFR P00533 1/20 0.32

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
SCHEMBL809275 0.86 PDK1 (0.37) PDK1PDK2PDK3PDK4MAPT
SCHEMBL809068 0.83 PLK1 (0.41) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL808968 0.82 HDAC3 (0.47) MAPTHTTJAK2TP53KLK7
SCHEMBL808813 0.79 MEN1 (0.43) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL4536126 0.75 MAPK1 (0.43) PDK1PDK2PDK3PDK4HTT
SCHEMBL1720120 0.75 MAPK1 (0.43) PDK1PDK2PDK3PDK4HTT
SCHEMBL1720123 0.75 MAPK1 (0.43) PDK1PDK2PDK3PDK4HTT
SCHEMBL808925 0.74 NCEH1 (0.43) KCNJ11
SCHEMBL4337907 0.70 ALDH1A1 (0.43) GAAALDH1A1LMNA
SCHEMBL809235 0.70 ALDH1A1 (0.43) GAAALDH1A1LMNA

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 6 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-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 (2 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 PDK1 1602/4885PDK2 203/4885PDK3 293/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE PDK1 1602/4885PDK2 203/4885PDK3 293/4885

“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.