SCHEMBL809226

SCHEMBL809226

COc1ccc2cc(C(NC(=O)C(F)(F)F)C(C)(C)O)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
ALOX5 P09917 2/20 0.49
AKR1C3 P42330 6/20 0.48
AKR1C2 P52895 6/20 0.48
PTGS2 P35354 3/20 0.48
PTGS1 P23219 3/20 0.48
TSHR P16473 2/20 0.48
CDC42 P60953 1/20 0.48
RAC1 P63000 1/20 0.48
CYP1A2 P05177 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
AKR1C1 Q04828 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RIOK2 Q9BVS4 1/20 0.44
ABCB11 O95342 1/20 0.43

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
SCHEMBL809198 0.85 MMP9 (0.45) AKR1C3AKR1C2
SCHEMBL809332 0.81 PDE2A (0.40) CNR1CYP1A2
SCHEMBL206627 0.75 MAPK1 (0.45)
SCHEMBL1720295 0.75 MAPK1 (0.45)
SCHEMBL1720296 0.75 MAPK1 (0.45)
SCHEMBL808976 0.74 MMP9 (0.47) TSHRCYP1A2
SCHEMBL4344623 0.74 MMP9 (0.47) TSHRCYP1A2
SCHEMBL20266799 0.74 PDE2A (0.53) LMNA
SCHEMBL18247937 0.74 PDE2A (0.53) LMNA
SCHEMBL4536126 0.73 MAPK1 (0.43) LMNA

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 6 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-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-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 (2 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 CNR1 392/4885ALOX5 173/4885AKR1C3 34/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CNR1 392/4885ALOX5 173/4885AKR1C3 34/4885

“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.