SCHEMBL808968

SCHEMBL808968

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
CYP2C9 P11712 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
SSTR4 P31391 1/20 0.39
JAK2 O60674 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KLK7 P49862 1/20 0.38
KCNJ11 Q14654 1/20 0.38
EPHX2 P34913 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4337907 0.89 ALDH1A1 (0.43) HDAC3CYP2C9HDAC1HDAC6ALDH1A1
SCHEMBL809235 0.89 ALDH1A1 (0.43) HDAC3CYP2C9HDAC1HDAC6ALDH1A1
SCHEMBL4341769 0.85 ALDH1A1 (0.46) HDAC3CYP2C9HDAC1HDAC6ALDH1A1
SCHEMBL808793 0.84 ALDH1A1 (0.40) HDAC3CYP2C9HDAC1HDAC6ALDH1A1
SCHEMBL809240 0.84 CYP2C9 (0.43) HDAC3CYP2C9HDAC1HDAC6ALDH1A1
SCHEMBL808672 0.83 ALDH1A1 (0.43) HDAC3CYP2C9HDAC1HDAC6ALDH1A1
SCHEMBL4344282 0.83 ALDH1A1 (0.43) HDAC3CYP2C9HDAC1HDAC6ALDH1A1
SCHEMBL808930 0.82 KCNJ11 (0.44) HDAC3CYP2C9HDAC1HDAC6ALDH1A1
SCHEMBL808828 0.82 PDK1 (0.37) ALDH1A1LMNAGAAJAK2TP53
SCHEMBL809275 0.82 PDK1 (0.37) JAK2TP53MAPTHTTKLK7

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 10 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
CN-101125833-A Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL CO (JP) 2008-02-20 CN 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
CN-1771236-A Optically active bisoxazoline compound, process for producing the same, and use thereof SUMITOMO CHEMICAL CO (JP) 2006-05-10 CN 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 HDAC3 4041/4885CYP2C9 22/4885HDAC1 2704/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE HDAC3 4041/4885CYP2C9 22/4885HDAC1 2704/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE HDAC3 4041/4885CYP2C9 22/4885HDAC1 2704/4885

“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.