SCHEMBL808963

SCHEMBL808963

COc1ccc(CC(O)(Cc2ccc(OC)cc2)[C@@H](NC(=O)C(C)(C)C(=O)N[C@@H](c2cccc3ccccc23)C(O)(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTPN1 P18031 1/20 0.43
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
MMP1 P03956 4/20 0.40
MMP13 P45452 3/20 0.40
MMP9 P14780 3/20 0.40
MMP3 P08254 1/20 0.40
MAPT P10636 1/20 0.39
KCNJ11 Q14654 1/20 0.39
HPGD P15428 1/20 0.39
MCL1 Q07820 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL808805 0.89 KMT2A (0.43) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL808637 0.89 POLB (0.47) ALDH1A1KDM4EMMP13POLBMTNR1A
SCHEMBL809241 0.89 PTPN1 (0.47) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL4332587 0.89 MMP8 (0.46) KMT2AMEN1ALDH1A1HPGD
SCHEMBL808696 0.89 MMP8 (0.46) KMT2AMEN1ALDH1A1HPGD
SCHEMBL2787810 0.88 LMNA (0.40) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL808829 0.88 KMT2A (0.42) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL808708 0.87 CASR (0.48) MMP1MMP13MMP9
SCHEMBL809153 0.85 KMT2A (0.46) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL4335644 0.84 KMT2A (0.47) KMT2AMEN1ALDH1A1KDM4EL3MBTL1

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 7 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

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 4666/4885MEN1 3119/4885ALDH1A1 897/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KMT2A 4666/4885MEN1 3119/4885ALDH1A1 897/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KMT2A 4666/4885MEN1 3119/4885ALDH1A1 897/4885

“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.