SCHEMBL70263

SCHEMBL70263

CCOC(=O)[C@H]1CC[C@H](OC(C(=O)Cc2cc(Cl)c(NC(=O)c3coc4ccccc34)cc2F)(N2CCCC2)N2C[C@H](OC)[C@H](OC)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.41
ITGA4 P13612 12/20 0.41
MAPT P10636 1/20 0.36
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL71732 1.00 ITGB1 (0.41) ITGB1ITGA4MAPTKMT2AATM
SCHEMBL72020 0.96 ITGB1 (0.42) ITGB1ITGA4MAPTKMT2AATM
SCHEMBL72019 0.96 ITGB1 (0.42) ITGB1ITGA4MAPTKMT2AATM
SCHEMBL71806 0.94 ITGB1 (0.39) ITGB1ITGA4MAPTKMT2AATM
SCHEMBL88063 0.94 ITGB1 (0.39) ITGB1ITGA4MAPTKMT2AATM
SCHEMBL72331 0.94 ITGB1 (0.42) ITGB1ITGA4MAPTKMT2AATM
SCHEMBL72330 0.94 ITGB1 (0.42) ITGB1ITGA4MAPTKMT2AATM
SCHEMBL71998 0.94 ITGB1 (0.39) ITGB1ITGA4MAPTKMT2AATM
SCHEMBL73709 0.93 ITGA4 (0.47) ITGB1ITGA4
SCHEMBL84179 0.93 ITGA4 (0.47) ITGB1ITGA4

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 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.