SCHEMBL808704

SCHEMBL808704

CCC(CC)(C(=O)NCC(O)(Cc1ccccc1OC)C(c1ccccc1OC)c1cccc2ccccc12)C(=O)NCC(O)(Cc1ccccc1OC)C(c1ccccc1OC)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 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
SCHEMBL808860 0.92 CACNA1B (0.41) CACNA1BAPBA1L3MBTL1MEN1KMT2A
SCHEMBL808608 0.90 KMT2A (0.44) CACNA1BAPBA1L3MBTL1MEN1KMT2A
SCHEMBL808816 0.89 CACNA1B (0.46) CACNA1BAPBA1L3MBTL1MEN1KMT2A
SCHEMBL808856 0.89 SSTR4 (0.39) MEN1KMT2AHPGD
SCHEMBL808781 0.86 SMN1; SMN2 (0.36) MEN1KMT2AALDH1A1
SCHEMBL808703 0.84 L3MBTL1 (0.43) CACNA1BAPBA1L3MBTL1MEN1KMT2A
SCHEMBL808806 0.81 CACNA1B (0.44) CACNA1BAPBA1MEN1KMT2AHPGD
SCHEMBL808635 0.81 SSTR4 (0.40) MEN1KMT2AHPGDHTTALDH1A1
SCHEMBL809190 0.80 EPHX2 (0.40) ALDH1A1
SCHEMBL808772 0.79 POLB (0.44) MEN1KMT2AHTTALDH1A1CYP3A4

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 CACNA1B 3534/4885APBA1 1147/4885L3MBTL1 4067/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CACNA1B 3534/4885APBA1 1147/4885L3MBTL1 4067/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CACNA1B 3534/4885APBA1 1147/4885L3MBTL1 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.