SCHEMBL809240

SCHEMBL809240

O=C(NC(c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
EPHX2 P34913 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CNR2 P34972 2/20 0.36
CMA1 P23946 1/20 0.36
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ACP3 P15309 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
SCHEMBL808930 0.90 KCNJ11 (0.44) CYP2C9HDAC1HDAC6HDAC3ALDH1A1
SCHEMBL809108 0.89 HDAC3 (0.42) CYP2C9HDAC1HDAC6HDAC3ALDH1A1
SCHEMBL809352 0.87 KCNJ11 (0.47) CYP2C9HDAC1HDAC6HDAC3
SCHEMBL4337174 0.87 ALDH1A1 (0.43) CYP2C9HDAC1HDAC6HDAC3ALDH1A1
SCHEMBL808660 0.87 ALDH1A1 (0.43) CYP2C9HDAC1HDAC6HDAC3ALDH1A1
SCHEMBL4339794 0.86 ALDH1A1 (0.47) CYP2C9HDAC1HDAC6HDAC3ALDH1A1
SCHEMBL808812 0.85 MTNR1A (0.43) CYP2C9HDAC1HDAC6HDAC3ALDH1A1
SCHEMBL808968 0.84 HDAC3 (0.47) CYP2C9HDAC1HDAC6HDAC3ALDH1A1
SCHEMBL808611 0.84 ALDH1A1 (0.45) CYP2C9ALDH1A1HPGDCYP2C19HTT
SCHEMBL4344304 0.84 ALDH1A1 (0.45) CYP2C9ALDH1A1HPGDCYP2C19HTT

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 CYP2C9 22/4885HDAC1 2704/4885HDAC6 3525/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CYP2C9 22/4885HDAC1 2704/4885HDAC6 3525/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CYP2C9 22/4885HDAC1 2704/4885HDAC6 3525/4885

“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.