SCHEMBL2433765

SCHEMBL2433765

COC(=O)C1CCC(OCN2CCOCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 4/20 0.36
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2435801 1.00 GAA (0.41) GAATP53SMN1; SMN2TDP1EPHX2
SCHEMBL2432453 0.86 GAA (0.44) GAATP53SMN1; SMN2ALDH1A1POLB
SCHEMBL2436660 0.86 GAA (0.44) GAATP53SMN1; SMN2ALDH1A1POLB
SCHEMBL2435627 0.75 GAA (0.38) GAATP53SMN1; SMN2ALDH1A1POLB
Lithium SCHEMBL31567109 0.74 HSD17B10 (0.40) SMN1; SMN2ALDH1A1POLBTSHRMAPT
SCHEMBL17711734 0.73 GAA (0.49) GAATP53SMN1; SMN2ALDH1A1POLB
SCHEMBL17711735 0.73 GAA (0.49) GAATP53SMN1; SMN2ALDH1A1POLB
SCHEMBL15382523 0.73 GAA (0.49) GAATP53SMN1; SMN2ALDH1A1POLB
SCHEMBL2950453 0.73 SMN1; SMN2 (0.63) TP53SMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL2944007 0.73 TP53 (0.45) GAATP53SMN1; SMN2ALDH1A1POLB

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 GAA 3552/4885TP53 3952/4885SMN1; SMN2 3702/4885

“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.