SCHEMBL809169

SCHEMBL809169

COC(=O)[C@H](C)N(C(=O)C(F)(F)F)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
PLA2G1B P04054 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KCNJ11 Q14654 6/20 0.39
HDAC3 O15379 1/20 0.37
CYP2C9 P11712 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ABCC9 O60706 2/20 0.36
ABCC8 Q09428 2/20 0.36
KCNJ8 Q15842 2/20 0.36
ATM Q13315 1/20 0.36
NCEH1 Q6PIU2 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
SCHEMBL809075 0.86 SIGMAR1 (0.39) KMT2AMEN1SIGMAR1KDM4EALDH1A1
SCHEMBL6138885 0.84 NPSR1 (0.44) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL809158 0.82 ALDH1A1 (0.39) KMT2ASIGMAR1KDM4EALDH1A1TDP1
SCHEMBL27597531 0.81 MEN1 (0.40) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL6139113 0.81 MEN1 (0.40) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL29643295 0.78 SIGMAR1 (0.50) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL7138305 0.77 CASP1 (0.41) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL10945613 0.76 SIGMAR1 (0.59) KMT2AMEN1SIGMAR1KDM4E
SCHEMBL809033 0.73 ALDH1A1 (0.43) KMT2AMEN1NPSR1SIGMAR1KDM4E
SCHEMBL7065619 0.72 NCEH1 (0.40) KMT2AMEN1SIGMAR1KDM4EALDH1A1

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 KMT2A 4666/4885MEN1 3119/4885PLA2G1B 893/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KMT2A 4666/4885MEN1 3119/4885PLA2G1B 893/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KMT2A 4666/4885MEN1 3119/4885PLA2G1B 893/4885

“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.