SCHEMBL809032

SCHEMBL809032

COC(=O)CNc1c(C(=O)C(F)(F)F)ccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 9/20 0.44
ABCC9 O60706 4/20 0.44
ABCC8 Q09428 4/20 0.44
KCNJ8 Q15842 4/20 0.44
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLA2G2D Q9UNK4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX5 P09917 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 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
SCHEMBL809320 0.80 KDM4E (0.42) KCNJ11ABCC9ABCC8KCNJ8KDM4E
Hydrochloric Acid SCHEMBL809034 0.77 KDM4E (0.43) KCNJ11ABCC9ABCC8KCNJ8KDM4E
Hydrochloric Acid SCHEMBL808850 0.76 MAPT (0.46) KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL808992 0.73 ALDH1A1 (0.49) KDM4ELMNASMN1; SMN2ALOX5CNR1
SCHEMBL5398935 0.72 MEN1 (0.38) KCNJ11ABCC9ABCC8KCNJ8KDM4E
SCHEMBL1154304 0.70 CYP1A2 (0.61) KDM4ELMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL5400688 0.69 L3MBTL1 (0.41) KDM4ESMN1; SMN2KMT2A
SCHEMBL17423141 0.69 TOP2A (0.59) KDM4ELMNASMN1; SMN2HTTKMT2A
Hydrochloric Acid SCHEMBL808814 0.69 CYP1A2 (0.60) KDM4ELMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL3792160 0.68 PLK1 (0.58) KDM4EKMT2ACNR1CNR2MEN1

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 KCNJ11 1282/4885ABCC9 1300/4885ABCC8 1267/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KCNJ11 1282/4885ABCC9 1300/4885ABCC8 1267/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KCNJ11 1282/4885ABCC9 1300/4885ABCC8 1267/4885

“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.