SCHEMBL809097

SCHEMBL809097

COC(=O)CN(C(=O)C(F)(F)F)c1ccc(C)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.38
ALDH1A1 P00352 2/20 0.36
GPBAR1 Q8TDU6 2/20 0.35
KEAP1 Q14145 7/20 0.34
NFE2L2 Q16236 7/20 0.34
KDM4E B2RXH2 3/20 0.34
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
LTC4S Q16873 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
SCHEMBL809339 0.86 PLK1 (0.41) MLYCDALDH1A1GPBAR1CYP1A2MAPT
SCHEMBL809033 0.83 ALDH1A1 (0.43) MLYCDALDH1A1GPBAR1KDM4ECYP1A2
SCHEMBL809170 0.80 KDM4E (0.38) MLYCDKDM4ECYP1A2MAPT
SCHEMBL809088 0.76 NCEH1 (0.47) MLYCD
SCHEMBL808926 0.72 MLYCD (0.36) MLYCDALDH1A1GPBAR1CYP1A2
SCHEMBL809076 0.72 MTNR1A (0.39) MAPT
SCHEMBL5004057 0.71 MEN1 (0.41) MLYCDALDH1A1GPBAR1KDM4EMAPT
SCHEMBL21364175 0.70 MLYCD (0.40) MLYCDALDH1A1GPBAR1KDM4ERAB9A
SCHEMBL809321 0.70 MLYCD (0.43) MLYCDALDH1A1GPBAR1
SCHEMBL809038 0.70 KDM4E (0.42) MLYCDALDH1A1GPBAR1KDM4EMAPT

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 MLYCD 2586/4885ALDH1A1 897/4885GPBAR1 3140/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MLYCD 2586/4885ALDH1A1 897/4885GPBAR1 3140/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MLYCD 2586/4885ALDH1A1 897/4885GPBAR1 3140/4885

“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.