SCHEMBL5161584

SCHEMBL5161584

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
RIPK1 Q13546 1/20 0.34
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
EPHX1 P07099 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
UCHL1 P09936 1/20 0.32
NPC1 O15118 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
SCHEMBL5409090 0.86 EPHX1 (0.37) HSD17B10RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL5163237 0.85 RAB9A (0.40) HSD17B10RAB9AHPGDKMT2APOLB
SCHEMBL5159931 0.77 RAB9A (0.37) HSD17B10RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL5160339 0.75 HCRTR2 (0.32) SMN1; SMN2KMT2APOLBHRH3
SCHEMBL29126180 0.75 HSD17B10 (0.39) HSD17B10RAB9AHPGDSMN1; SMN2RIPK1
SCHEMBL5164380 0.74 HSD17B10 (0.40) HSD17B10HPGDSMN1; SMN2RIPK1EPHX1
SCHEMBL7110058 0.73 RAB9A (0.36) HSD17B10RAB9AHPGD
SCHEMBL22131502 0.72 GAA (0.34) HPGDEPHX1HRH3
SCHEMBL5161589 0.71 HRH3 (0.38) HSD17B10RAB9AHPGDKMT2AEPHX1
SCHEMBL28890612 0.70 HPGD (0.37) HSD17B10RAB9AHPGDRIPK1EPHX1

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 HSD17B10 3097/4885RAB9A 1194/4885HPGD 4377/4885

“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.