SCHEMBL5163678

SCHEMBL5163678

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
OPRD1 P41143 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL5159931 0.87 RAB9A (0.37) ALOX5APFEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL23142701 0.81 RAB9A (0.39) RAB9APOLB
SCHEMBL24922942 0.80 HSD17B10 (0.44) ALOX5APFEN1KMT2AMEN1SMN1; SMN2
SCHEMBL24922956 0.80 HSD17B10 (0.44) ALOX5APFEN1KMT2AMEN1SMN1; SMN2
SCHEMBL5160897 0.80 HCRTR2 (0.33) KMT2ASMN1; SMN2POLBUSP2
SCHEMBL27010065 0.79 RAB9A (0.38) RAB9AHSD17B10LMNAPOLB
SCHEMBL5409090 0.78 EPHX1 (0.37) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL6241038 0.77 ALOX5AP (0.43) ALOX5APFEN1KMT2AMEN1SMN1; SMN2
SCHEMBL5160976 0.77 SMN1; SMN2 (0.37) ALOX5APFEN1KMT2AMEN1SMN1; SMN2
SCHEMBL18015118 0.76 ALOX5AP (0.45) ALOX5APFEN1KMT2AMEN1SMN1; 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 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 ALOX5AP 1041/4885FEN1 4799/4885KMT2A 1139/4885

“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.