SCHEMBL822174

SCHEMBL822174

CCCC(CCC)(CN[C@@H](c1cccc2ccccc12)C(O)(c1ccc(C)cc1)c1ccc(C)cc1)CN[C@@H](c1cccc2ccccc12)C(O)(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 1/20 0.36
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
KDM4A O75164 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 3/20 0.33
SCN2A Q99250 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LTC4S Q16873 1/20 0.33
SCN5A Q14524 1/20 0.33
XBP1 P17861 1/20 0.33
MLNR O43193 1/20 0.32
ABCB11 O95342 1/20 0.32
ADRB1 P08588 1/20 0.32
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL2835248 0.91 KMT2A (0.36) KCNJ11MEN1KMT2AKDM4ACTDSP1
SCHEMBL822306 0.90 SLC6A4 (0.36) KCNJ11MEN1KMT2AHTTALDH1A1
SCHEMBL821601 0.82 SLC6A4 (0.42) KCNJ11MEN1KMT2AKDM4ACTDSP1
SCHEMBL2837002 0.80 SLC6A4 (0.37) MEN1KMT2AGAAHTTALDH1A1
SCHEMBL4338111 0.77 MEN1 (0.41) KCNJ11MEN1KMT2AKDM4ACTDSP1
SCHEMBL4340483 0.77 KCNJ11 (0.42) KCNJ11MEN1KMT2AKDM4ACTDSP1
SCHEMBL808755 0.76 RAB9A (0.39) KCNJ11MEN1KMT2AKDM4ACTDSP1
SCHEMBL4345709 0.74 KCNJ11 (0.40) KCNJ11MEN1KMT2AKDM4ACTDSP1
SCHEMBL808743 0.74 KCNJ11 (0.40) KCNJ11MEN1KMT2AKDM4ACTDSP1
SCHEMBL808930 0.73 KCNJ11 (0.44) KCNJ11MEN1KMT2AKDM4ACTDSP1

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 1282/4885MEN1 3119/4885KMT2A 4666/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KCNJ11 1282/4885MEN1 3119/4885KMT2A 4666/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KCNJ11 1282/4885MEN1 3119/4885KMT2A 4666/4885

“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.