SCHEMBL71533

SCHEMBL71533

CC(C)(C)OC(=O)COCOCN1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSK P43235 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.32
OPRK1 P41145 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
ALDH1A1 P00352 1/20 0.30
USP2 O75604 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
SCN9A Q15858 1/20 0.30
POLB P06746 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
SCHEMBL70258 0.88 CTSK (0.39) MEN1NPC1RAB9AKMT2ACTSK
SCHEMBL13323676 0.80 DGAT1 (0.34) GAA
SCHEMBL24809231 0.75 MEN1 (0.46) MEN1NPC1RAB9AKMT2AGAA
SCHEMBL4026767 0.73 ALDH1A1 (0.43) MEN1NPC1RAB9AKMT2ACTSK
SCHEMBL6688426 0.72 DGAT1 (0.37) MEN1KMT2AGAA
SCHEMBL303434 0.72 ALDH1A1 (0.46) MEN1NPC1RAB9AKMT2ACTSK
SCHEMBL347313 0.72 LMNA (0.36) MEN1KMT2A
SCHEMBL28351674 0.72 ALDH1A1 (0.46) MEN1NPC1RAB9AKMT2ACTSK
SCHEMBL28349166 0.71 CYP2D6 (0.32)
SCHEMBL12014400 0.70 ALDH1A1 (0.48) MEN1KMT2AHPGDSMN1; 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 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 MEN1 4254/4885NPC1 680/4885RAB9A 1503/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MEN1 4337/4885NPC1 551/4885RAB9A 1491/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MEN1 4226/4885NPC1 624/4885RAB9A 1187/4885

“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.