SCHEMBL809162

SCHEMBL809162

CCOc1ccc2ccccc2c1NCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
GLA P06280 1/20 0.49
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 4/20 0.48
CXCR5 P32302 1/20 0.47
HPGD P15428 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 2/20 0.46
IDO1 P14902 1/20 0.44
ALOX5 P09917 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
G6PD P11413 1/20 0.43
TP53 P04637 1/20 0.43
NCEH1 Q6PIU2 1/20 0.43

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
Hydrochloric Acid SCHEMBL808992 0.89 ALDH1A1 (0.49) L3MBTL1ALDH1A1KDM4ECXCR5HPGD
SCHEMBL809176 0.86 CTSD (0.49) ALDH1A1KDM4EHPGDTDP1POLB
SCHEMBL7372118 0.83 ALDH1A1 (0.50) L3MBTL1GLAALDH1A1KDM4ECXCR5
SCHEMBL7112143 0.80 ABCC9 (0.51) L3MBTL1ALDH1A1KDM4ECXCR5HPGD
SCHEMBL30704480 0.80 ABCC9 (0.51) L3MBTL1ALDH1A1KDM4ECXCR5HPGD
SCHEMBL809072 0.78 POLB (0.43) GLAALDH1A1KDM4EHPGDTDP1
SCHEMBL30449681 0.78 POLB (0.43) GLAALDH1A1KDM4EHPGDTDP1
SCHEMBL6784117 0.77 ALDH1A1 (0.50) L3MBTL1ALDH1A1KDM4ECXCR5HPGD
Hydrochloric Acid SCHEMBL1037379 0.77 ALDH1A1 (0.60) L3MBTL1ALDH1A1KDM4ECXCR5LMNA
Hydrochloric Acid SCHEMBL808850 0.76 MAPT (0.46) L3MBTL1KDM4E

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 L3MBTL1 4067/4885GLA 2039/4885ALDH1A1 897/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE L3MBTL1 4067/4885GLA 2039/4885ALDH1A1 897/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE L3MBTL1 4067/4885GLA 2039/4885ALDH1A1 897/4885

“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.