SCHEMBL3683653

SCHEMBL3683653

CC1CC(=O)OC(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
SCN9A Q15858 1/20 0.33
NR1H2 P55055 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL13550896 1.00 USP2 (0.37) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL20406585 0.78 CHRM2 (0.43) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL483259 0.78 CHRM2 (0.43) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL7609856 0.77 USP2 (0.35) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL17936992 0.76 USP2 (0.39) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL9409739 0.73 KDM4E (0.38) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL22096750 0.73 CHRM2 (0.46) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL19420020 0.73 CHRM2 (0.46) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL23902600 0.72 CHRM2 (0.39) USP2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL21470687 0.72 CHRM2 (0.39) USP2SMN1; SMN2CHRM2CHRM1CHRM3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649094-B2 Optically active compounds, method for kinetic optical resolution of carboxylic acid derivatives and catalysts therefor DAISO CO., LTD. (JP) 2010-01-19 US disclosed
US-7649094-B2 Optically active compounds, method for kinetic optical resolution of carboxylic acid derivatives and catalysts therefor DAISO CO., LTD. (JP) 2010-01-19 US disclosed
US-7649094-B2 Optically active compounds, method for kinetic optical resolution of carboxylic acid derivatives and catalysts therefor DAISO CO., LTD. (JP) 2010-01-19 US disclosed
EP-1477488-B1 NOVEL OPTICALLY ACTIVE COMPOUNDS, METHOD FOR KINETIC OPTICAL RESOLUTION OF CARBOXYLIC ACID DERIVATIVES AND CATALYSTS THEREFOR DAISO CO LTD (JP) 2009-08-26 EP disclosed
EP-1477488-B1 NOVEL OPTICALLY ACTIVE COMPOUNDS, METHOD FOR KINETIC OPTICAL RESOLUTION OF CARBOXYLIC ACID DERIVATIVES AND CATALYSTS THEREFOR DAISO CO LTD (JP) 2009-08-26 EP disclosed
US-20050154209-A1 Novel optically active compounds, method for kinetic optical resolution of carboxylic acid derivatives and catalysts therefor OSAKA SODA CO., LTD. (JP) 2005-07-14 US disclosed
EP-1477488-A1 NOVEL OPTICALLY ACTIVE COMPOUNDS, METHOD FOR KINETIC OPTICAL RESOLUTION OF CARBOXYLIC ACID DERIVATIVES AND CATALYSTS THEREFOR DAISO CO., LTD. (JP) 2004-11-17 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 (1 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-20050154209-A1 Novel optically active compounds, method for kinetic optical resolution of carboxylic acid derivatives and catalysts therefor FAR1, TECR, FFAR1 USP2 4433/4885SMN1; SMN2 3880/4885CHRM2 1210/4885

“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.