SCHEMBL71394

SCHEMBL71394

CCOC(=O)C1CCC(OC(OCOCc2ccccc2)(C(=O)OC(C)(C)C)N2CCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.41
EGFR P00533 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
CCR8 P51685 1/20 0.39

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
SCHEMBL2432169 0.92 ALDH1A1 (0.39) NPSR1MAPTL3MBTL1ALDH1A1HSD17B10
SCHEMBL7263490 0.91 NPC1 (0.39) L3MBTL1ALDH1A1KMT2A
SCHEMBL71208 0.79 SMN1; SMN2 (0.44) PKMNPSR1MAPTEGFRL3MBTL1
SCHEMBL71666 0.79 ALDH1A1 (0.43) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL2438309 0.78 ALDH1A1 (0.40) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL2433932 0.78 ALDH1A1 (0.40) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL72021 0.78 SMN1; SMN2 (0.43) PKMNPSR1MAPTL3MBTL1ALDH1A1
SCHEMBL71343 0.78 SMN1; SMN2 (0.43) PKMNPSR1MAPTL3MBTL1ALDH1A1
SCHEMBL73355 0.78 ALDH1A1 (0.52) PKMMAPTL3MBTL1ALDH1A1CCR8
SCHEMBL71554 0.77 PKM (0.47) PKMNPSR1MAPTEGFRL3MBTL1

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 PKM 4083/4885NPSR1 1592/4885MAPT 4775/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 PKM 4112/4885NPSR1 1517/4885MAPT 4773/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 PKM 4337/4885NPSR1 2018/4885MAPT 4795/4885

“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.