SCHEMBL808592

SCHEMBL808592

CCCCCC(O)(CCCCC)[C@@H](NC(=O)C(CC)(CC)C(=O)N[C@@H](c1cccc2ccccc12)C(O)(CCCCC)CCCCC)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.40
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 4/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.37
EPHX2 P34913 2/20 0.37

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
SCHEMBL808727 0.99 KDM4E (0.41) CNR2KDM4EKMT2AL3MBTL1CNR1
SCHEMBL808882 0.97 CNR2 (0.38) CNR2KDM4EKMT2AL3MBTL1CNR1
SCHEMBL809267 0.93 CNR2 (0.40) CNR2KDM4EKMT2AL3MBTL1GAA
SCHEMBL808808 0.92 KMT2A (0.41) CNR2KDM4EKMT2AL3MBTL1GAA
SCHEMBL808577 0.92 LMNA (0.39) L3MBTL1GAALMNAEPHX2
SCHEMBL809071 0.90 CNR2 (0.40) CNR2KDM4EKMT2AL3MBTL1GAA
SCHEMBL808871 0.90 CNR2 (0.38) CNR2KDM4EKMT2AL3MBTL1GAA
SCHEMBL808701 0.89 KDM4E (0.42) CNR2KDM4EKMT2AL3MBTL1GAA
SCHEMBL808597 0.88 ALDH1A1 (0.43) L3MBTL1GAALMNAEPHX2
SCHEMBL808559 0.87 CNR2 (0.41) CNR2KDM4EKMT2AL3MBTL1GAA

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 CNR2 590/4885KDM4E 3069/4885KMT2A 4666/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CNR2 590/4885KDM4E 3069/4885KMT2A 4666/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CNR2 590/4885KDM4E 3069/4885KMT2A 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.