SCHEMBL809176

SCHEMBL809176

COc1ccc2ccccc2c1NCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.49
MAPT P10636 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HCRTR1 O43613 1/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 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 SCHEMBL808850 0.90 MAPT (0.46) CTSDMAPTKMT2AMEN1MTNR1A
SCHEMBL809162 0.86 L3MBTL1 (0.49) KDM4EALDH1A1HPGDTDP1POLB
SCHEMBL808889 0.81 POLB (0.45) MAPTKMT2AMEN1CYP2C9KDM4E
SCHEMBL7369757 0.80 MAPT (0.51) MAPTKMT2AMEN1MTNR1AMTNR1B
SCHEMBL30449681 0.80 POLB (0.43) KMT2AMEN1CYP1A2KDM4EALDH1A1
SCHEMBL809072 0.80 POLB (0.43) KMT2AMEN1CYP1A2KDM4EALDH1A1
Iodide SCHEMBL25364438 0.78 MAPT (0.53) MAPTKMT2AMEN1MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL808992 0.78 ALDH1A1 (0.49) KDM4EALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL30379927 0.78 MAPT (0.43) MAPTKMT2AMEN1MTNR1AMTNR1B
SCHEMBL23499928 0.77 MTNR1A (0.56) MAPTKMT2AMEN1MTNR1AMTNR1B

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 CTSD 3361/4885MAPT 3959/4885KMT2A 4666/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CTSD 3361/4885MAPT 3959/4885KMT2A 4666/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CTSD 3361/4885MAPT 3959/4885KMT2A 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.