SCHEMBL808770

SCHEMBL808770

COc1cccc(C(O)(c2cccc(OC)c2)C(N)c2cccc3ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
KCNJ11 Q14654 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
KRAS P01116 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KIF11 P52732 1/20 0.39
MTNR1A P48039 5/20 0.38
MTNR1B P49286 4/20 0.38
HTR2C P28335 3/20 0.38
PLAU P00749 1/20 0.38
POLB P06746 1/20 0.38
AOC3 Q16853 1/20 0.37
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL808769 1.00 KMT2A (0.41) KMT2ARAB9AKCNJ11PRSS1PRSS2
SCHEMBL809007 0.86 RAB9A (0.46) KMT2ARAB9AKCNJ11PRSS1PRSS2
SCHEMBL809008 0.86 RAB9A (0.46) KMT2ARAB9AKCNJ11PRSS1PRSS2
SCHEMBL808895 0.82 KIF11 (0.39) KMT2AKCNJ11MEN1KIF11
SCHEMBL808894 0.82 KIF11 (0.39) KMT2AKCNJ11MEN1KIF11
SCHEMBL808997 0.81 CYP2C19 (0.44) KMT2AMEN1KIF11POLB
SCHEMBL808996 0.81 CYP2C19 (0.44) KMT2AMEN1KIF11POLB
SCHEMBL808988 0.81 CYP1A2 (0.45) KMT2ARAB9AMEN1NPC1KIF11
SCHEMBL808989 0.81 CYP1A2 (0.45) KMT2ARAB9AMEN1NPC1KIF11
SCHEMBL4450023 0.80 KCNA5 (0.51) KMT2ARAB9AMEN1NPC1KIF11

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 KMT2A 4666/4885RAB9A 1710/4885KCNJ11 1282/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KMT2A 4666/4885RAB9A 1710/4885KCNJ11 1282/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KMT2A 4666/4885RAB9A 1710/4885KCNJ11 1282/4885

“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.