SCHEMBL808969

SCHEMBL808969

CC(O)(CNC(=O)C(F)(F)F)Cc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.46
MTNR1B P49286 2/20 0.46
SSTR4 P31391 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 1/20 0.43
NR3C1 P04150 1/20 0.42
NR3C2 P08235 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
CASR P41180 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MMP8 P22894 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL809236 0.89 SSTR4 (0.47) MTNR1ASSTR4TDP1MEN1KMT2A
SCHEMBL808794 0.86 SSTR4 (0.45) MTNR1ASSTR4TDP1MEN1KMT2A
SCHEMBL808673 0.85 SSTR4 (0.48) MTNR1ASSTR4TDP1MEN1KMT2A
SCHEMBL808841 0.84 SSTR4 (0.46) MTNR1ASSTR4TDP1MEN1KMT2A
SCHEMBL2787225 0.83 NR3C1 (0.43) MTNR1AMTNR1BNR3C1NR3C2KDM4E
SCHEMBL6380046 0.79 MEN1 (0.57) MTNR1AMTNR1BTDP1MEN1KMT2A
SCHEMBL808870 0.78 TDP1 (0.53) SSTR4TDP1NR3C1NR3C2CASR
SCHEMBL8858530 0.76 MTNR1A (0.67) MTNR1AMTNR1BTRPV1
SCHEMBL7287681 0.74 TDP1 (0.54) MTNR1ASSTR4TDP1MEN1KMT2A
SCHEMBL7278100 0.74 TDP1 (0.49) SSTR4TDP1NR3C1NR3C2CASR

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 10 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
CN-101125833-A Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL CO (JP) 2008-02-20 CN 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
CN-1771236-A Optically active bisoxazoline compound, process for producing the same, and use thereof SUMITOMO CHEMICAL CO (JP) 2006-05-10 CN 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 MTNR1A 3901/4885MTNR1B 3691/4885SSTR4 2560/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MTNR1A 3901/4885MTNR1B 3691/4885SSTR4 2560/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MTNR1A 3901/4885MTNR1B 3691/4885SSTR4 2560/4885

“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.