SCHEMBL3832136

SCHEMBL3832136

CC(C)(C)OC(=O)COC[C@@H]1CCCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RIPK1 Q13546 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
CASP3 P42574 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL2566481 1.00 HSD17B10 (0.38) HSD17B10SMN1; SMN2POLBL3MBTL1USP2
SCHEMBL2567398 0.96 HSD17B10 (0.34) HSD17B10SMN1; SMN2POLBUSP2
SCHEMBL2569354 0.92 HSD17B10 (0.32) HSD17B10SMN1; SMN2
SCHEMBL2490765 0.89 HSD17B10 (0.43) HSD17B10SMN1; SMN2L3MBTL1ALDH1A1ALOX5AP
SCHEMBL29039261 0.89 HSD17B10 (0.43) HSD17B10SMN1; SMN2L3MBTL1ALDH1A1ALOX5AP
SCHEMBL3771067 0.89 HSD17B10 (0.43) HSD17B10SMN1; SMN2L3MBTL1ALDH1A1ALOX5AP
SCHEMBL25254934 0.86 HSD17B10 (0.36) HSD17B10SMN1; SMN2POLBL3MBTL1USP2
SCHEMBL5160976 0.86 SMN1; SMN2 (0.37) HSD17B10SMN1; SMN2USP2LMNAALDH1A1
SCHEMBL3635836 0.85 HSD17B10 (0.38) HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL3763846 0.85 PDE8B (0.43) HSD17B10SMN1; SMN2ALDH1A1ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 EP disclosed
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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 (2 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-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 HSD17B10 3355/4885SMN1; SMN2 4054/4885POLB 3297/4885
US-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 HSD17B10 3097/4885SMN1; SMN2 3016/4885POLB 3774/4885

“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.