SCHEMBL809205

SCHEMBL809205

COc1ccc([C@@H](N)C(C)(C)O)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
EP300 Q09472 2/20 0.46
KAT8 Q9H7Z6 1/20 0.46
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
PLK1 P53350 1/20 0.40
HPGDS O60760 1/20 0.39
CDC25B P30305 2/20 0.38
NQO1 P15559 1/20 0.38
SLC2A1 P11166 1/20 0.37
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE2A O00408 1/20 0.36
CYP2C9 P11712 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
STAT6 P42226 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL808831 1.00 IDO1 (0.47) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL808807 0.78 CYP1A2 (0.46) MAPTALDH1A1CYP1A2
SCHEMBL808804 0.78 CYP1A2 (0.46) MAPTALDH1A1CYP1A2
SCHEMBL11275566 0.78 IDO1 (0.55) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL809070 0.77 PDE2A (0.38) PDE2AALDH1A1
SCHEMBL808778 0.77 PDE2A (0.38) PDE2AALDH1A1
SCHEMBL809142 0.76 IDO1 (0.39) IDO1EP300KAT8PLK1NQO1
SCHEMBL809150 0.76 IDO1 (0.39) IDO1EP300KAT8PLK1NQO1
Hydrochloric Acid SCHEMBL31733399 0.76 EP300 (0.56) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL808924 0.75 MAPT (0.49) NQO1MAPTHPGDKMT2ACYP2C9

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 IDO1 777/4885EP300 3958/4885KAT8 1560/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE IDO1 777/4885EP300 3958/4885KAT8 1560/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE IDO1 777/4885EP300 3958/4885KAT8 1560/4885

“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.