SCHEMBL808632

SCHEMBL808632

COc1ccccc1C(O)(c1ccccc1OC)[C@@H](NC(=O)C1(C(=O)N[C@@H](c2cccc3ccccc23)C(O)(c2ccccc2OC)c2ccccc2OC)CCC1)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.39
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LPAR1 Q92633 1/20 0.36
GAA P10253 2/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
EGFR P00533 1/20 0.35
SLC6A4 P31645 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
HDAC3 O15379 1/20 0.34
CYP2C9 P11712 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL809103 0.98 MEN1 (0.43) MEN1KMT2ALMNAROCK2ROCK1
SCHEMBL808916 0.97 MEN1 (0.42) MEN1KMT2ALMNAROCK2ROCK1
SCHEMBL808735 0.96 MEN1 (0.44) MEN1KMT2ALMNAROCK2ROCK1
SCHEMBL4337462 0.85 MEN1 (0.49) MEN1KMT2ALMNAROCK2ROCK1
SCHEMBL808534 0.83 L3MBTL1 (0.41) MEN1KMT2ALMNAL3MBTL1SLC6A4
SCHEMBL808864 0.83 MEN1 (0.47) MEN1KMT2ALMNAROCK2ROCK1
SCHEMBL4335406 0.83 MEN1 (0.47) MEN1KMT2ALMNAROCK2ROCK1
SCHEMBL1153692 0.83 HTT (0.39) MEN1KMT2AL3MBTL1GAAALDH1A1
SCHEMBL809148 0.82 KMT2A (0.37) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL4336484 0.82 MEN1 (0.47) MEN1KMT2ALMNAROCK2ROCK1

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 MEN1 3119/4885KMT2A 4666/4885LMNA 2541/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MEN1 3119/4885KMT2A 4666/4885LMNA 2541/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MEN1 3119/4885KMT2A 4666/4885LMNA 2541/4885

“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.