SCHEMBL808798

SCHEMBL808798

CCCOC(=O)CNc1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
HIF1A Q16665 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
KDM4E B2RXH2 3/20 0.46
EPHX1 P07099 1/20 0.45
MAPT P10636 5/20 0.44
POLB P06746 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 4/20 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
SCHEMBL1193154 0.88 POLB (0.56) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL30730413 0.88 POLB (0.56) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL1153284 0.83 ALDH1A1 (0.55) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
Hydrochloric Acid SCHEMBL809087 0.82 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL1191120 0.82 GAA (0.54) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL18740426 0.79 PKM (0.47) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL5406287 0.78 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL28157055 0.78 RAB9A (0.51) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL14625973 0.78 CYP3A4 (0.49) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL1372488 0.77 ALDH1A1 (0.53) SMN1; SMN2LMNAALDH1A1CYP1A2CYP2C19

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 RAB9A 1710/4885NPC1 3971/4885SMN1; SMN2 4667/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE RAB9A 1710/4885NPC1 3971/4885SMN1; SMN2 4667/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE RAB9A 1710/4885NPC1 3971/4885SMN1; SMN2 4667/4885

“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.