SCHEMBL5160976

SCHEMBL5160976

COC(=O)N1CCC[C@H]1COCC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OPRD1 P41143 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
USP2 O75604 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3771067 0.92 HSD17B10 (0.43) SMN1; SMN2HSD17B10OPRD1ALOX5APFEN1
SCHEMBL29039261 0.92 HSD17B10 (0.43) SMN1; SMN2HSD17B10OPRD1ALOX5APFEN1
SCHEMBL2490765 0.92 HSD17B10 (0.43) SMN1; SMN2HSD17B10OPRD1ALOX5APFEN1
SCHEMBL3763846 0.88 PDE8B (0.43) SMN1; SMN2HSD17B10OPRD1ALOX5APFEN1
SCHEMBL2566481 0.86 HSD17B10 (0.38) SMN1; SMN2HSD17B10LMNAALOX5APFEN1
SCHEMBL3832136 0.86 HSD17B10 (0.38) SMN1; SMN2HSD17B10LMNAALOX5APFEN1
SCHEMBL3781276 0.83 HSD17B10 (0.36) SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL3781269 0.83 HSD17B10 (0.36) SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL2567398 0.83 HSD17B10 (0.34) SMN1; SMN2HSD17B10USP2NPC1
SCHEMBL6318180 0.82 KMT2A (0.43) SMN1; SMN2HSD17B10LMNANPSR1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 SMN1; SMN2 3016/4885HSD17B10 3097/4885LMNA 4162/4885

“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.