SCHEMBL5158609

SCHEMBL5158609

COC(=O)[C@@H]1CCCN1OCC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.44
KLK5 Q9Y337 1/20 0.38
POLB P06746 1/20 0.37
PEPD P12955 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HSD17B10 Q99714 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
XPNPEP1 Q9NQW7 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LTA4H P09960 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL71756 1.00 FKBP1A (0.44) FKBP1AKLK5POLBPEPDSMN1; SMN2
SCHEMBL4299188 0.86 HSD17B10 (0.42) PEPDSMN1; SMN2HSD17B10LMNARAB9A
SCHEMBL4299186 0.86 HSD17B10 (0.42) PEPDSMN1; SMN2HSD17B10LMNARAB9A
SCHEMBL5160942 0.79 SMN1; SMN2 (0.37) FKBP1APOLBSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL27754721 0.78 FKBP1A (0.41) FKBP1AKLK5POLBPEPDSMN1; SMN2
SCHEMBL5163254 0.77 MEN1 (0.33) SMN1; SMN2HSD17B10CA1CA2ALDH1A1
SCHEMBL5153410 0.77 POLB (0.40) POLBHSD17B10CA1CA2ALDH1A1
SCHEMBL28510190 0.77 FKBP1A (0.43) FKBP1AKLK5POLBPEPDSMN1; SMN2
SCHEMBL16817596 0.77 FKBP1A (0.43) FKBP1AKLK5POLBPEPDSMN1; SMN2
SCHEMBL2432196 0.76 SMN1; SMN2 (0.34) POLBSMN1; SMN2HSD17B10ALDH1A1NPSR1

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 FKBP1A 1684/4885KLK5 1584/4885POLB 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.