SCHEMBL4255246

SCHEMBL4255246

CC(=O)OCC(COC(C)=O)CC(=O)CBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TRPA1 O75762 2/20 0.35
FAAH O00519 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30
TBXA2R P21731 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL14207586 0.81 ALDH1A1 (0.42) TDP1ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL9834948 0.78 TDP1 (0.43) TDP1ALDH1A1LMNAHSD17B10TRPA1
SCHEMBL13615066 0.78 TDP1 (0.43) TDP1ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL888659 0.77 ALDH1A1 (0.50) TDP1ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL1114512 0.76 TDP1 (0.42) TDP1ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL4266246 0.75 TDP1 (0.38) TDP1ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL5930106 0.74 TDP1 (0.45) TDP1ALDH1A1LMNAHSD17B10TRPA1
SCHEMBL13618657 0.72 ALDH1A1 (0.42) TDP1ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL18195571 0.71 ALDH1A1 (0.52) TDP1ALDH1A1LMNAHSD17B10TRPA1
SCHEMBL13459987 0.70 TDP1 (0.45) TDP1ALDH1A1LMNAHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281142-A1 THIAZOLE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-12 US disclosed
US-20090281142-A1 THIAZOLE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-12 US disclosed
US-20090281142-A1 THIAZOLE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-12 US disclosed
CN-101228143-A Thiazole derivatives ASTELLAS PHARMA INC (JP) 2008-07-23 CN disclosed
EP-1921074-A1 THIAZOLE DERIVATIVE Astellas Pharma Inc. (JP) 2008-05-14 EP disclosed
EP-1921074-A1 THIAZOLE DERIVATIVE Astellas Pharma Inc. (JP) 2008-05-14 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-20090281142-A1 THIAZOLE DERIVATIVE GK, GCKR, AK2 TDP1 4108/4885ALDH1A1 1817/4885LMNA 3884/4885

“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.