SCHEMBL808927

SCHEMBL808927

COC(=O)[C@H](OC)N(C(=O)C(F)(F)F)c1ccc(OC)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.39
CDC25B P30305 5/20 0.38
HPGDS O60760 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
STAT6 P42226 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FABP4 P15090 4/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ATM Q13315 1/20 0.34
HPGD P15428 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL809075 0.83 SIGMAR1 (0.39) ALDH1A1CYP2C9HSD17B10KMT2AMEN1
SCHEMBL809339 0.73 PLK1 (0.41) PLK1CDC25BHPGDSALDH1A1CYP1A2
SCHEMBL809158 0.72 ALDH1A1 (0.39) CDC25BALDH1A1KMT2AATMHPGD
SCHEMBL809169 0.69 KMT2A (0.41) ALDH1A1CYP2C9HTTNPSR1KMT2A
SCHEMBL4984086 0.63 SIGMAR1 (0.56) PLK1CDC25BHPGDSALDH1A1CYP1A2
SCHEMBL19244670 0.63 PLK1 (0.56) PLK1CDC25BHPGDSALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL809152 0.63 CDC25B (0.51) PLK1CDC25BHPGDSALDH1A1CYP1A2
SCHEMBL10381361 0.62 HPGDS (0.54) PLK1CDC25BHPGDSALDH1A1CYP1A2
SCHEMBL9195639 0.62 HTT (0.54) PLK1CDC25BHPGDSALDH1A1CYP1A2
SCHEMBL19244671 0.62 CDC25B (0.56) PLK1CDC25BHPGDSALDH1A1CYP1A2

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 PLK1 3015/4885CDC25B 1217/4885HPGDS 2294/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE PLK1 3015/4885CDC25B 1217/4885HPGDS 2294/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE PLK1 3015/4885CDC25B 1217/4885HPGDS 2294/4885

“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.