SCHEMBL808806

SCHEMBL808806

CCC(CC)(C(=O)NCC(O)(Cc1ccc(OC)cc1)C(c1ccc(OC)cc1)c1cccc2ccccc12)C(=O)NCC(O)(Cc1ccc(OC)cc1)C(c1ccc(OC)cc1)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
PTPN1 P18031 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.39
MCL1 Q07820 1/20 0.39
MTNR1A P48039 4/20 0.39
MTNR1B P49286 3/20 0.39
HTR2C P28335 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
PSEN1 P49768 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
SCHEMBL808830 0.93 PTPN1 (0.41) CACNA1BAPBA1PTPN1KMT2AMEN1
SCHEMBL808964 0.90 PTPN1 (0.44) CACNA1BAPBA1PTPN1KMT2AMEN1
SCHEMBL808766 0.89 KMT2A (0.35) KMT2AMEN1ALDH1A1GAANPC1
SCHEMBL809242 0.89 PTPN1 (0.46) CACNA1BAPBA1PTPN1KMT2AMEN1
SCHEMBL809190 0.88 EPHX2 (0.40) ALDH1A1GAA
SCHEMBL808772 0.86 POLB (0.44) KMT2AMEN1ALDH1A1MTNR1AMTNR1B
SCHEMBL808553 0.86 CASR (0.40) KMT2AMEN1
SCHEMBL808839 0.82 KMT2A (0.35) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL808805 0.81 KMT2A (0.43) CACNA1BAPBA1PTPN1KMT2AMEN1
SCHEMBL808704 0.81 CACNA1B (0.45) CACNA1BAPBA1KMT2AMEN1KDM4E

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 CACNA1B 3534/4885APBA1 1147/4885PTPN1 4365/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CACNA1B 3534/4885APBA1 1147/4885PTPN1 4365/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CACNA1B 3534/4885APBA1 1147/4885PTPN1 4365/4885

“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.