SCHEMBL808534

SCHEMBL808534

COc1ccccc1CC(O)(Cc1ccccc1OC)[C@@H](NC(=O)C1(C(=O)N[C@@H](c2cccc3ccccc23)C(O)(Cc2ccccc2OC)Cc2ccccc2OC)CCC1)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC6A4 P31645 1/20 0.35
HTR7 P34969 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2785870 0.98 L3MBTL1 (0.41) L3MBTL1MEN1KMT2ACACNA1BAPBA1
SCHEMBL808711 0.97 MEN1 (0.40) L3MBTL1MEN1KMT2ACACNA1BAPBA1
SCHEMBL808554 0.96 L3MBTL1 (0.42) L3MBTL1MEN1KMT2ACACNA1BAPBA1
SCHEMBL809106 0.89 SSTR4 (0.36) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL808639 0.87 ALDH1A1 (0.35) MEN1KMT2ALMNAALDH1A1
SCHEMBL809046 0.87 SSTR4 (0.36) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL808832 0.86 KMT2A (0.44) L3MBTL1MEN1KMT2ACACNA1BAPBA1
SCHEMBL808862 0.86 METAP2 (0.36) MEN1KMT2ALMNAALDH1A1TDP1
SCHEMBL808942 0.85 ALDH1A1 (0.35) MEN1KMT2ALMNAALDH1A1CYP3A4
SCHEMBL808815 0.85 L3MBTL1 (0.46) L3MBTL1MEN1KMT2ACACNA1BAPBA1

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 L3MBTL1 4067/4885MEN1 3119/4885KMT2A 4666/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE L3MBTL1 4067/4885MEN1 3119/4885KMT2A 4666/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE L3MBTL1 4067/4885MEN1 3119/4885KMT2A 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.