SCHEMBL71806

SCHEMBL71806

CCOC(=O)[C@H]1CC[C@H](OC(C(=O)Cc2cc(Cl)c(NC(=O)c3coc4ccccc34)cc2Cl)(N2CCCC2)N2C[C@H](OC)[C@H](OC)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.39
ITGA4 P13612 9/20 0.39
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
MAOB P27338 1/20 0.33
ACKR3 P25106 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL88063 1.00 ITGB1 (0.39) ITGB1ITGA4MAPTATMALDH1A1
SCHEMBL71998 1.00 ITGB1 (0.39) ITGB1ITGA4MAPTATMALDH1A1
SCHEMBL71865 0.96 ITGB1 (0.41) ITGB1ITGA4MAPTATMALDH1A1
SCHEMBL71864 0.96 ITGB1 (0.41) ITGB1ITGA4MAPTATMALDH1A1
SCHEMBL71732 0.94 ITGB1 (0.41) ITGB1ITGA4MAPTATMALDH1A1
SCHEMBL70263 0.94 ITGB1 (0.41) ITGB1ITGA4MAPTATMALDH1A1
SCHEMBL73718 0.93 ITGB1 (0.46) ITGB1ITGA4MAPTMAOBACKR3
SCHEMBL71423 0.93 ITGB1 (0.46) ITGB1ITGA4MAPTMAOBACKR3
SCHEMBL72104 0.93 ITGB1 (0.46) ITGB1ITGA4MAPTMAOBACKR3
SCHEMBL70724 0.93 ITGB1 (0.38) ITGB1ITGA4MAPTATMALDH1A1

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 ITGB1 16/4885ITGA4 3/4885MAPT 4775/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 ITGB1 13/4885ITGA4 3/4885MAPT 4773/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 ITGB1 22/4885ITGA4 3/4885MAPT 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.