SCHEMBL809077

SCHEMBL809077

COc1ccc(NCC(=O)O)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 5/20 0.58
PLK1 P53350 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PARP1 P09874 1/20 0.48
HPGDS O60760 1/20 0.48
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FABP4 P15090 2/20 0.46
EP300 Q09472 1/20 0.45
KAT8 Q9H7Z6 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44
ATM Q13315 1/20 0.44

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
Hydrochloric Acid SCHEMBL809061 0.89 CDC25B (0.54) CDC25BPLK1MEN1KMT2AHPGDS
SCHEMBL29557428 0.80 POLB (0.56) MEN1KMT2APOLBSMN1; SMN2KDM4E
SCHEMBL1816768 0.80 POLB (0.56) MEN1KMT2APOLBSMN1; SMN2KDM4E
SCHEMBL2788006 0.79 PARP1 (0.51) MEN1KMT2APARP1POLBKDM4E
SCHEMBL808889 0.77 POLB (0.45) CDC25BPLK1MEN1KMT2AHPGDS
SCHEMBL10747304 0.77 POLB (0.71) CDC25BPLK1MEN1KMT2AHPGDS
SCHEMBL809176 0.76 CTSD (0.49) MEN1KMT2ACYP2C9POLBSMN1; SMN2
SCHEMBL6880369 0.76 CDC25B (0.59) CDC25BPLK1MEN1KMT2AHPGDS
SCHEMBL8027669 0.76 RXFP1 (0.60) CDC25BPLK1MEN1KMT2AHPGDS
SCHEMBL16122884 0.76 PARP1 (0.51) MEN1KMT2APARP1CYP2C9FABP4

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 CDC25B 1217/4885PLK1 3015/4885MEN1 3119/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CDC25B 1217/4885PLK1 3015/4885MEN1 3119/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CDC25B 1217/4885PLK1 3015/4885MEN1 3119/4885

“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.