SCHEMBL72535

SCHEMBL72535

CC1CN(C(=O)OC(C)(C)C)CC(C)O1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
USP2 O75604 1/20 0.50
RECQL P46063 1/20 0.44
HPGD P15428 1/20 0.42
PDK1 Q15118 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
EPHX1 P07099 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
NAMPT P43490 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL20626594 0.90 NR1H2 (0.46) NR1H2SMN1; SMN2USP2RECQLHPGD
SCHEMBL29045382 0.88 NR1H2 (0.45) NR1H2SMN1; SMN2USP2RECQLHPGD
SCHEMBL31570510 0.88 NR1H2 (0.45) NR1H2SMN1; SMN2USP2RECQLHPGD
SCHEMBL1990606 0.88 NR1H2 (0.45) NR1H2SMN1; SMN2USP2RECQLHPGD
SCHEMBL24203567 0.88 NR1H2 (0.45) NR1H2SMN1; SMN2USP2RECQLHPGD
SCHEMBL25273222 0.88 NR1H2 (0.45) NR1H2SMN1; SMN2USP2RECQLHPGD
SCHEMBL22034295 0.88 NR1H2 (0.45) NR1H2SMN1; SMN2USP2RECQLHPGD
SCHEMBL22034297 0.88 NR1H2 (0.45) NR1H2SMN1; SMN2USP2RECQLHPGD
SCHEMBL17013355 0.88 NR1H2 (0.45) NR1H2SMN1; SMN2USP2RECQLHPGD
SCHEMBL21193259 0.85 NR1H2 (0.54) NR1H2SMN1; SMN2USP2RECQLHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 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 (3 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 NR1H2 231/4885SMN1; SMN2 4739/4885USP2 4665/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 NR1H2 234/4885SMN1; SMN2 4702/4885USP2 4661/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 NR1H2 447/4885SMN1; SMN2 4787/4885USP2 4810/4885

“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.