SCHEMBL5158933

SCHEMBL5158933

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
FHIT P49789 1/20 0.32
USP2 O75604 1/20 0.32
HCRTR2 O43614 1/20 0.31
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
FAP Q12884 1/20 0.30
CMA1 P23946 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 0.83 HCRTR2 (0.33) HRH3SMN1; SMN2USP2HCRTR2CMA1
SCHEMBL5160976 0.80 SMN1; SMN2 (0.37) SMN1; SMN2USP2
SCHEMBL3832136 0.77 HSD17B10 (0.38) SMN1; SMN2USP2HCRTR2DPP4DPP8
SCHEMBL2490765 0.77 HSD17B10 (0.43) SMN1; SMN2
SCHEMBL3771067 0.77 HSD17B10 (0.43) SMN1; SMN2
SCHEMBL2566481 0.77 HSD17B10 (0.38) SMN1; SMN2USP2HCRTR2DPP4DPP8
SCHEMBL29039261 0.77 HSD17B10 (0.43) SMN1; SMN2
SCHEMBL5160339 0.74 HCRTR2 (0.32) HRH3SMN1; SMN2HCRTR2CMA1
SCHEMBL3763846 0.74 PDE8B (0.43) SMN1; SMN2
SCHEMBL2567398 0.74 HSD17B10 (0.34) SMN1; SMN2USP2

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 HRH3 468/4885SMN1; SMN2 3016/4885FHIT 4578/4885

“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.