SCHEMBL809352

SCHEMBL809352

COc1ccc(C(O)(c2ccc(OC)cc2)C(NC(=O)C(F)(F)F)c2cccc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 1/20 0.47
NPC1 O15118 4/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.43
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC3 O15379 1/20 0.40
CYP2C9 P11712 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GCGR P47871 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
PSMB5 P28074 1/20 0.39
HTR2C P28335 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
SCHEMBL4335644 0.90 KMT2A (0.47) KCNJ11NPC1KMT2ARAB9AMEN1
SCHEMBL808812 0.89 MTNR1A (0.43) KCNJ11KMT2AMEN1MTNR1AMTNR1B
SCHEMBL4340513 0.89 KMT2A (0.50) KCNJ11NPC1KMT2ARAB9AMEN1
SCHEMBL808930 0.87 KCNJ11 (0.44) KCNJ11NPC1KMT2ARAB9AMEN1
SCHEMBL809240 0.87 CYP2C9 (0.43) HDAC3CYP2C9HDAC1HDAC6
SCHEMBL4330802 0.86 KMT2A (0.48) KCNJ11NPC1KMT2ARAB9AMEN1
SCHEMBL809206 0.82 MEN1 (0.46) KCNJ11KMT2AMEN1L3MBTL1HDAC3
SCHEMBL809108 0.82 HDAC3 (0.42) KCNJ11KMT2ARAB9AMEN1HDAC3
SCHEMBL808968 0.80 HDAC3 (0.47) KCNJ11KMT2AMEN1HDAC3CYP2C9
SCHEMBL2787973 0.79 KMT2A (0.40) KCNJ11NPC1KMT2ARAB9AMEN1

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 KCNJ11 1282/4885NPC1 3971/4885KMT2A 4666/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KCNJ11 1282/4885NPC1 3971/4885KMT2A 4666/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KCNJ11 1282/4885NPC1 3971/4885KMT2A 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.