SCHEMBL2429809

SCHEMBL2429809

COC(=O)[C@H]1CC[C@H](OC[C@@H]2CCCN2OS(=O)(=O)CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
HCRTR2 O43614 6/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
PKM P14618 1/20 0.31
STS P08842 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
SCHEMBL2432196 0.86 SMN1; SMN2 (0.34) TP53HCRTR2ALDH1A1MAPTHPGD
SCHEMBL2432113 0.86 SMN1; SMN2 (0.34) TP53HCRTR2ALDH1A1MAPTHPGD
SCHEMBL2435372 0.86 SMN1; SMN2 (0.34) TP53HCRTR2ALDH1A1MAPTHPGD
SCHEMBL2432163 0.86 SMN1; SMN2 (0.34) TP53HCRTR2ALDH1A1MAPTHPGD
SCHEMBL2434670 0.83 SMN1; SMN2 (0.36) TP53HCRTR2ALDH1A1MAPTHPGD
SCHEMBL2429329 0.80 SMN1; SMN2 (0.35) TP53HCRTR2ALDH1A1MAPTHPGD
SCHEMBL2432658 0.77 HCRTR2 (0.45) HCRTR2HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL2431740 0.77 HCRTR2 (0.45) HCRTR2HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL2429382 0.77 HCRTR2 (0.45) HCRTR2HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL5151768 0.77 HCRTR2 (0.45) HCRTR2HSD17B10SMN1; SMN2MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 TP53 3952/4885HCRTR2 1935/4885ALDH1A1 981/4885

“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.