SCHEMBL808965

SCHEMBL808965

COc1ccc2cc(C(N)C(C)(C)O)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.53
AKR1C3 P42330 6/20 0.51
AKR1C2 P52895 6/20 0.51
PTGS2 P35354 3/20 0.51
PTGS1 P23219 3/20 0.51
TSHR P16473 2/20 0.51
CYP1A2 P05177 2/20 0.51
CDC42 P60953 1/20 0.51
RAC1 P63000 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
ALOX5 P09917 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
AKR1C1 Q04828 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PDE2A O00408 1/20 0.47
CYP2A6 P11509 1/20 0.44

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
SCHEMBL809006 1.00 ABCB11 (0.53) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL808636 0.81 UGT2B7 (0.53) TSHRCYP1A2PDE2A
SCHEMBL808938 0.81 UGT2B7 (0.53) TSHRCYP1A2PDE2A
SCHEMBL808826 0.81 UGT2B7 (0.53) TSHRCYP1A2PDE2A
SCHEMBL28703345 0.78 ABCB11 (0.68) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL28703342 0.78 ABCB11 (0.68) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL29793685 0.77 ABCB11 (0.66) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL1744955 0.77 ABCB11 (0.66) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL1746118 0.77 ABCB11 (0.66) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL5673083 0.75 ABCB11 (0.64) ABCB11AKR1C3AKR1C2PTGS2PTGS1

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 ABCB11 2632/4885AKR1C3 34/4885AKR1C2 92/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ABCB11 2632/4885AKR1C3 34/4885AKR1C2 92/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ABCB11 2632/4885AKR1C3 34/4885AKR1C2 92/4885

“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.