SCHEMBL808891

SCHEMBL808891

COc1ccc(NC(OC)C(=O)O)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 5/20 0.56
PLK1 P53350 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGDS O60760 1/20 0.42
CYP2C9 P11712 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
STAT6 P42226 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HIF1A Q16665 1/20 0.42
FABP4 P15090 2/20 0.41
KEAP1 Q14145 2/20 0.40
HSP90AA1 P07900 1/20 0.40
IDO1 P14902 1/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL808890 1.00 CDC25B (0.56) CDC25BPLK1MEN1KMT2AHPGDS
Hydrochloric Acid SCHEMBL809152 0.87 CDC25B (0.51) CDC25BPLK1MEN1KMT2AHPGDS
SCHEMBL809178 0.79 KDM4E (0.51) MEN1KMT2ACYP2C9ALDH1A1CYP1A2
SCHEMBL809177 0.79 KDM4E (0.51) MEN1KMT2ACYP2C9ALDH1A1CYP1A2
SCHEMBL6880369 0.76 CDC25B (0.59) CDC25BPLK1MEN1KMT2AHPGDS
SCHEMBL28602988 0.75 CDC25B (0.50) CDC25BPLK1MEN1KMT2AALDH1A1
SCHEMBL8027669 0.73 RXFP1 (0.60) CDC25BPLK1MEN1KMT2AHPGDS
SCHEMBL809077 0.73 CDC25B (0.58) CDC25BPLK1MEN1KMT2AHPGDS
SCHEMBL1816769 0.72 TDP1 (0.45) MEN1KMT2AALDH1A1CYP3A4HSD17B10
SCHEMBL4783198 0.72 CDC25B (1.00) CDC25BKMT2ACYP2C9HIF1AFABP4

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-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
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 CDC25B 1217/4885PLK1 3015/4885MEN1 3119/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CDC25B 1217/4885PLK1 3015/4885MEN1 3119/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CDC25B 1217/4885PLK1 3015/4885MEN1 3119/4885

“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.