SCHEMBL5160339

SCHEMBL5160339

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CMA1 P23946 1/20 0.31
HRH3 Q9Y5N1 3/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
ACE P12821 1/20 0.30

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
SCHEMBL5160897 0.84 HCRTR2 (0.33) HCRTR2SMN1; SMN2CMA1HRH3KMT2A
SCHEMBL5160189 0.82 FKBP1A (0.46) KMT2A
SCHEMBL5160346 0.80 MEN1 (0.33) KMT2A
SCHEMBL5409090 0.78 EPHX1 (0.37) SMN1; SMN2KMT2A
SCHEMBL5161584 0.75 HSD17B10 (0.39) SMN1; SMN2HRH3KMT2APOLB
SCHEMBL5158933 0.74 HRH3 (0.33) HCRTR2SMN1; SMN2CMA1HRH3
SCHEMBL5163237 0.74 RAB9A (0.40) HCRTR2KMT2APOLB
SCHEMBL6179708 0.72 SMN1; SMN2 (0.56) SMN1; SMN2KMT2APOLB
SCHEMBL5161578 0.72 SMN1; SMN2 (0.56) SMN1; SMN2KMT2APOLB
SCHEMBL5160904 0.68 SMN1; SMN2 (0.34) SMN1; SMN2CMA1KMT2APOLB

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 HCRTR2 4475/4885SMN1; SMN2 3016/4885CMA1 1315/4885

“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.