SCHEMBL808975

SCHEMBL808975

CCCCC(O)(CCCC)[C@H](N)c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.44
SLC6A2 P23975 9/20 0.43
SLC6A4 P31645 9/20 0.43
SLC6A3 Q01959 9/20 0.43
AOC3 Q16853 2/20 0.42
KCNH2 Q12809 5/20 0.40
CYP2D6 P10635 4/20 0.40
CYP3A4 P08684 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
ATM Q13315 1/20 0.39
KIF11 P52732 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL27653543 1.00 UGT2B7 (0.44) UGT2B7SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL809174 0.96 UGT2B7 (0.42) UGT2B7SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL808779 0.94 UGT2B7 (0.41) UGT2B7SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL4335706 0.91 SLC6A2 (0.48) UGT2B7SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL809248 0.91 SLC6A2 (0.48) UGT2B7SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL808777 0.84 UGT2B7 (0.49) UGT2B7SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL4344296 0.84 UGT2B7 (0.49) UGT2B7SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL27653549 0.79 HTR2A (0.46) UGT2B7SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL808762 0.79 HTR2A (0.46) UGT2B7SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL809116 0.79 UGT2B7 (0.50) UGT2B7SLC6A2SLC6A4SLC6A3AOC3

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 UGT2B7 114/4885SLC6A2 4835/4885SLC6A4 4576/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE UGT2B7 114/4885SLC6A2 4835/4885SLC6A4 4576/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE UGT2B7 114/4885SLC6A2 4835/4885SLC6A4 4576/4885

“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.