SCHEMBL808962

SCHEMBL808962

CCCCCCC(O)(CCCCCC)[C@H](N)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR2 P34972 3/20 0.36
CNR1 P21554 1/20 0.36
AOC3 Q16853 1/20 0.36
GAA P10253 1/20 0.36
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL809130 0.99 ALDH1A1 (0.38) KMT2AKDM4EL3MBTL1METAP2METAP1
SCHEMBL27633084 0.94 ALDH1A1 (0.39) KMT2AMETAP2METAP1ALDH1A1CYP1A2
SCHEMBL808809 0.94 ALDH1A1 (0.39) KMT2AMETAP2METAP1ALDH1A1CYP1A2
SCHEMBL808800 0.88 ALDH1A1 (0.41) KMT2AMETAP2METAP1ALDH1A1CYP1A2
SCHEMBL808899 0.82 ALDH1A1 (0.43) KMT2AMETAP2METAP1ALDH1A1CYP1A2
SCHEMBL1662289 0.82 ALDH1A1 (0.43) KMT2AMETAP2METAP1ALDH1A1CYP1A2
SCHEMBL2785832 0.77 KMT2A (0.43) KMT2AKDM4EL3MBTL1CNR2GAA
SCHEMBL808788 0.77 METAP2 (0.43) KMT2AMETAP2METAP1ALDH1A1CYP1A2
SCHEMBL808559 0.76 CNR2 (0.41) KMT2AKDM4EL3MBTL1METAP2METAP1
SCHEMBL808701 0.75 KDM4E (0.42) KMT2AKDM4EL3MBTL1CNR2GAA

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 KMT2A 4666/4885KDM4E 3069/4885L3MBTL1 4067/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KMT2A 4666/4885KDM4E 3069/4885L3MBTL1 4067/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KMT2A 4666/4885KDM4E 3069/4885L3MBTL1 4067/4885

“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.