SCHEMBL5639663

SCHEMBL5639663

CC(C)COC(=O)[N]S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ALDH1A1 P00352 4/20 0.37
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
P2RX4 Q99571 1/20 0.30

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
SCHEMBL5638045 0.82 TSHR (0.39) TSHRALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL5639404 0.76 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2
SCHEMBL540805 0.75 TSHR (0.48) TSHRALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL11432981 0.75 TSHR (0.48) TSHRALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL540806 0.75 TSHR (0.48) TSHRALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL967607 0.73
SCHEMBL5638241 0.72 HCAR2 (0.36) TSHRALDH1A1TDP1
SCHEMBL965400 0.71 TSHR (0.45) TSHRALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL5639635 0.71 TSHR (0.40) TSHRALDH1A1
SCHEMBL8384871 0.71 TSHR (0.45) TSHRALDH1A1RAB9ASMN1; SMN2TDP1

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
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-7312200-B2 9-ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2007-12-25 US 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 (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-20060128642-A1 9-Ketospinosyn derivatives SNX9, NANS, BROX TSHR 3417/4885ALDH1A1 4038/4885RAB9A 529/4885

“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.