SCHEMBL809041

SCHEMBL809041

CC(C)CC(O)(CNC(=O)CC(=O)NCC(O)(CC(C)C)CC(C)Cc1cccc2ccccc12)CC(C)Cc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.40
MMP9 P14780 3/20 0.40
MMP8 P22894 2/20 0.40
ANPEP P15144 1/20 0.40
MMP2 P08253 1/20 0.40
MME P08473 2/20 0.40
ACE P12821 2/20 0.40
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
MTNR1A P48039 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
REN P00797 1/20 0.38
MMP14 P50281 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
SCHEMBL808624 0.89 CTSS (0.39) CTNNB1MMP9MMP8ANPEPMMP2
SCHEMBL808688 0.87 MME (0.39) CTNNB1MMP9MMP8ANPEPMMP2
SCHEMBL808671 0.85 MME (0.38) CTNNB1MMP9MMP8ANPEPMMP2
SCHEMBL808551 0.73 MTNR1A (0.48) MTNR1AATMREN
SCHEMBL808673 0.72 SSTR4 (0.48) MTNR1ALMNAATM
SCHEMBL808912 0.72 OPRK1 (0.38) CTNNB1MMP9MMP8ANPEPMMP2
SCHEMBL808723 0.71 MTNR1A (0.48) MTNR1AATMREN
SCHEMBL2785927 0.71 MME (0.36) CTNNB1MMP9ANPEPMMEACE
SCHEMBL7528890 0.70 CYP1A2 (0.53) CTNNB1MMEACECPA1ACE2
SCHEMBL2785829 0.69 MTNR1A (0.42) CTNNB1MTNR1AATM

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 CTNNB1 1735/4885MMP9 3535/4885MMP8 3635/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CTNNB1 1735/4885MMP9 3535/4885MMP8 3635/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CTNNB1 1735/4885MMP9 3535/4885MMP8 3635/4885

“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.