SCHEMBL809210

SCHEMBL809210

Cc1cccc(C(O)(c2cccc(C)c2)[C@H](N)c2ccc3ccccc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.42
CYP2A6 P11509 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KIF11 P52732 3/20 0.39
SLC6A2 P23975 7/20 0.39
SLC6A4 P31645 7/20 0.39
SLC6A3 Q01959 7/20 0.39
KCNH2 Q12809 5/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AOC3 Q16853 1/20 0.38
KCNA5 P22460 1/20 0.38
ATM Q13315 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 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
SCHEMBL809211 1.00 UGT2B7 (0.42) UGT2B7CYP2A6TDP1KIF11SLC6A2
SCHEMBL808915 0.85 UGT2B7 (0.45) UGT2B7CYP2A6TDP1SLC6A2SLC6A4
SCHEMBL808914 0.85 UGT2B7 (0.45) UGT2B7CYP2A6TDP1SLC6A2SLC6A4
SCHEMBL808716 0.85 KCNA5 (0.47) UGT2B7KIF11SLC6A2SLC6A4SLC6A3
SCHEMBL808715 0.85 KCNA5 (0.47) UGT2B7KIF11SLC6A2SLC6A4SLC6A3
SCHEMBL808988 0.84 CYP1A2 (0.45) UGT2B7CYP2A6KIF11SLC6A2SLC6A4
SCHEMBL808989 0.84 CYP1A2 (0.45) UGT2B7CYP2A6KIF11SLC6A2SLC6A4
SCHEMBL4449894 0.83 KCNA5 (0.54) KIF11SLC6A2SLC6A4KCNH2CYP3A4
SCHEMBL4449902 0.83 KCNA5 (0.54) KIF11SLC6A2SLC6A4KCNH2CYP3A4
SCHEMBL809193 0.78 CYP1A2 (0.47) UGT2B7CYP2A6KIF11SLC6A2SLC6A4

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 114/4885CYP2A6 206/4885TDP1 4483/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE UGT2B7 114/4885CYP2A6 206/4885TDP1 4483/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE UGT2B7 114/4885CYP2A6 206/4885TDP1 4483/4885

“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.