SCHEMBL71866

SCHEMBL71866

CCOC(=O)C1CCC(OC[C@@H]2CC(=O)CN2C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
GPR119 Q8TDV5 2/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL71017 1.00 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL2434805 0.82 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL28516288 0.82 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL70452 0.81 PKM (0.47) ALDH1A1MEN1KMT2APKMNPSR1
SCHEMBL85710 0.81 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL91845 0.80 MEN1 (0.40) ALDH1A1MEN1KMT2ATSHRPKM
SCHEMBL10273159 0.80 MEN1 (0.40) ALDH1A1MEN1KMT2ATSHRPKM
SCHEMBL14254485 0.79 MEN1 (0.39) ALDH1A1MEN1KMT2ATSHRPKM
SCHEMBL13437496 0.79 MEN1 (0.39) ALDH1A1MEN1KMT2ATSHRPKM
SCHEMBL14500330 0.78 NR1H2 (0.40) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2

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 ALDH1A1 216/4885MEN1 4254/4885KMT2A 568/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 ALDH1A1 207/4885MEN1 4337/4885KMT2A 656/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 ALDH1A1 525/4885MEN1 4226/4885KMT2A 881/4885

“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.