SCHEMBL71476

SCHEMBL71476

CC(C)(C)OC(=O)C(OC1CCC(C(=O)O)CC1)(N1CCCC1)N1CC(N2CCCCC2)C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
BTK Q06187 1/20 0.31

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
SCHEMBL71475 1.00 HSD17B10 (0.34) HSD17B10HPGDSMN1; SMN2ALDH1A1BTK
SCHEMBL72241 0.80 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1
SCHEMBL9934981 0.80 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1
SCHEMBL72711 0.77 ALDH1A1 (0.46) HPGDSMN1; SMN2ALDH1A1
SCHEMBL72710 0.77 ALDH1A1 (0.46) HPGDSMN1; SMN2ALDH1A1
SCHEMBL71822 0.77 ALDH1A1 (0.43) ALDH1A1
SCHEMBL73427 0.77 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1
SCHEMBL71821 0.77 ALDH1A1 (0.43) ALDH1A1
SCHEMBL88243 0.76 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1
SCHEMBL88242 0.76 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HSD17B10 651/4885HPGD 1752/4885SMN1; SMN2 4739/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 HSD17B10 861/4885HPGD 1734/4885SMN1; SMN2 4702/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 HSD17B10 736/4885HPGD 2201/4885SMN1; SMN2 4787/4885

“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.