SCHEMBL808624

SCHEMBL808624

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CTNNB1 P35222 1/20 0.39
ANPEP P15144 1/20 0.39
MME P08473 2/20 0.39
ACE P12821 2/20 0.39
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
MTNR1A P48039 2/20 0.38
MMP9 P14780 3/20 0.37
MMP8 P22894 2/20 0.37
MMP14 P50281 1/20 0.37
VNN1 O95497 1/20 0.37
MMP2 P08253 1/20 0.37
TACR1 P25103 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL808688 0.89 MME (0.39) CTSSCTSKCTNNB1ANPEPMME
SCHEMBL809041 0.89 CTNNB1 (0.40) CTSSCTSKCTNNB1ANPEPMME
SCHEMBL808671 0.87 MME (0.38) CTSSCTSKCTNNB1ANPEPMME
SCHEMBL809236 0.74 SSTR4 (0.47) CTSSCTSKCTNNB1OPRD1OPRK1
SCHEMBL808746 0.74 MTNR1A (0.46) OPRD1OPRK1MTNR1AKMT2ATDP1
SCHEMBL808619 0.72 MTNR1A (0.46) MTNR1A
SCHEMBL808681 0.71 SSTR4 (0.42) CTSSCTSKOPRD1OPRK1MTNR1A
SCHEMBL808912 0.70 OPRK1 (0.38) CTNNB1ANPEPMMEACECPA1
SCHEMBL7528890 0.68 CYP1A2 (0.53) CTNNB1MMEACECPA1ACE2
SCHEMBL808768 0.67 SMN1; SMN2 (0.38) OPRD1OPRK1MTNR1AKMT2AALDH1A1

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 CTSS 2050/4885CTSK 505/4885CTNNB1 1735/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CTSS 2050/4885CTSK 505/4885CTNNB1 1735/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CTSS 2050/4885CTSK 505/4885CTNNB1 1735/4885

“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.