SCHEMBL809309

SCHEMBL809309

COC(=O)CN(C(=O)C(F)(F)F)c1ccc2ccc(C)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.41
RAB9A P51151 3/20 0.37
MAPT P10636 3/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CYP2A6 P11509 2/20 0.36
CYP1A2 P05177 1/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 3/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
VEGFA P15692 1/20 0.33
FLT1 P17948 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL809321 0.87 MLYCD (0.43) MLYCDSMN1; SMN2ALDH1A1KMT2AGPBAR1
SCHEMBL809031 0.84 MLYCD (0.42) MLYCDRAB9AMAPTHSD17B10NPC1
SCHEMBL5396818 0.76 MLYCD (0.49) MLYCDRAB9AMAPTKDM4ELMNA
SCHEMBL21364175 0.75 MLYCD (0.40) MLYCDRAB9AMAPTKDM4ELMNA
SCHEMBL809170 0.69 KDM4E (0.38) MLYCDMAPTCYP1A2KDM4EKMT2A
SCHEMBL809033 0.67 ALDH1A1 (0.43) MLYCDMAPTHSD17B10SMN1; SMN2CYP1A2
SCHEMBL808926 0.67 MLYCD (0.36) MLYCDHSD17B10CYP1A2LMNAALDH1A1
SCHEMBL11469397 0.66 ALDH1A1 (0.51) RAB9AMAPTNPC1SMN1; SMN2NFKB1
SCHEMBL27451463 0.66 MLYCD (0.44) MLYCDRAB9AHSD17B10PKMKDM4E
SCHEMBL809076 0.66 MTNR1A (0.39) MAPTKMT2A

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 MLYCD 2586/4885RAB9A 1710/4885MAPT 3959/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MLYCD 2586/4885RAB9A 1710/4885MAPT 3959/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MLYCD 2586/4885RAB9A 1710/4885MAPT 3959/4885

“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.