SCHEMBL809213

SCHEMBL809213

CC(C)CC(O)(CC(C)Cc1cccc2ccccc12)CN(CC(O)(CC(C)C)CC(C)Cc1cccc2ccccc12)C(=O)C1(C(N)=O)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.36
ACE P12821 2/20 0.36
OPRK1 P41145 1/20 0.35
METAP2 P50579 3/20 0.34
METAP1 P53582 1/20 0.34
CTNNB1 P35222 1/20 0.33
MMP9 P14780 1/20 0.32
ANPEP P15144 1/20 0.32
HTR2A P28223 5/20 0.32
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A4 P31645 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
KMT2A Q03164 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
SCHEMBL808875 0.99 METAP2 (0.35) MMEACEOPRK1METAP2METAP1
SCHEMBL2785927 0.98 MME (0.36) MMEACEOPRK1METAP2METAP1
SCHEMBL808912 0.96 OPRK1 (0.38) MMEACEOPRK1METAP2METAP1
SCHEMBL809111 0.79 MTNR1A (0.40) OPRK1METAP2KDM4E
SCHEMBL809140 0.78 OPRK1 (0.39) OPRK1METAP2CTNNB1ALDH1A1MEN1
SCHEMBL808569 0.78 MTNR1A (0.40) METAP2METAP1ALDH1A1KDM4EMAPT
SCHEMBL808590 0.77 OPRK1 (0.39) OPRK1METAP2METAP1ALDH1A1MEN1
SCHEMBL809059 0.77 MTNR1A (0.40) OPRK1METAP2KDM4E
SCHEMBL808877 0.77 BCHE (0.38) METAP2KDM4E
SCHEMBL809012 0.76 OPRK1 (0.39) OPRK1METAP2CTNNB1MEN1KMT2A

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 MME 4554/4885ACE 2367/4885OPRK1 334/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MME 4554/4885ACE 2367/4885OPRK1 334/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MME 4554/4885ACE 2367/4885OPRK1 334/4885

“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.