SCHEMBL5638554

SCHEMBL5638554

CCNC(=O)OC(C)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
EPHX1 P07099 1/20 0.38
CTSK P43235 1/20 0.37
ALDH1A1 P00352 1/20 0.34
EPHX2 P34913 1/20 0.34
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 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
SCHEMBL15759434 0.83 CYP2D6 (0.46) SMN1; SMN2EPHX1CTSKALDH1A1EPHX2
SCHEMBL28879485 0.83 CTSK (0.35) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8432418 0.83 CTSK (0.35) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11419405 0.83 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4EPHX1
SCHEMBL24441010 0.83 CHRNB2 (0.44) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20186755 0.83 CHRNB2 (0.41) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL969919 0.81
SCHEMBL25379943 0.81 CHRNB2 (0.43) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25379939 0.81 CHRNB2 (0.43) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL26198744 0.81 CHRNB2 (0.43) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312200-B2 9-ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2007-12-25 US claimed
US-20060128642-A1 9-Ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2006-06-15 US claimed
EP-1590358-A1 9-KETOSPINOSYN DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2005-11-02 EP claimed
WO-2004065402-A1 9-KETOSPINOSYN DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-05 WO claimed
US-11229709-B2 Dendrimer drug conjugates for sustained intra-articular delivery MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-01-25 US disclosed
US-20200155692-A1 DENDRIMER DRUG CONJUGATES FOR SUSTAINED INTRA-ARTICULAR DELIVERY UNITED STATES GOVERNMENT 2020-05-21 US disclosed
CN-1918128-B fused ring 4-oxo-pyrimidine derivatives BANYU PHARMA CO LTD 2011-01-26 CN disclosed
CN-1922183-B Nitrogenous fused heteroaromatic ring derivative BANYU PHARMA CO LTD 2010-05-26 CN disclosed
US-7312200-B2 9-ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2007-12-25 US disclosed
CN-1960977-A Quinazoline derivative BANYU PHARMA CO LTD (JP) 2007-05-09 CN disclosed
CN-1922183-A Nitrogenous fused heteroaromatic ring derivative BANYU PHARMA CO LTD (JP) 2007-02-28 CN disclosed
CN-1918128-A Fused ring 4-oxo-pyrimidine derivatives BANYU PHARMA CO LTD (JP) 2007-02-21 CN disclosed
US-20060128642-A1 9-Ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2006-06-15 US disclosed
EP-1590358-A1 9-KETOSPINOSYN DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2005-11-02 EP disclosed
WO-2004065402-A1 9-KETOSPINOSYN DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-05 WO 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-20060128642-A1 9-Ketospinosyn derivatives SNX9, NANS, BROX SMN1; SMN2 1147/4885CHRNB2 3611/4885CHRNB4 3401/4885
US-20200155692-A1 DENDRIMER DRUG CONJUGATES FOR SUSTAINED INTRA-ARTICULAR DELIVERY CD44, ITGA6, ITGA2B SMN1; SMN2 831/4885CHRNB2 2527/4885CHRNB4 3434/4885
US-11229709-B2 Dendrimer drug conjugates for sustained intra-articular delivery CD44, ITGA6, ITGA2B SMN1; SMN2 831/4885CHRNB2 2527/4885CHRNB4 3434/4885

“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.