SCHEMBL71155

SCHEMBL71155

CCOC(=O)[C@H]1CC[C@H](OC(C(=O)Cc2cc(Cl)c(NC(=O)c3csc4ccccc34)cc2Cl)(N2CCCC2)N2CC(OC)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 7/20 0.41
ITGA4 P13612 7/20 0.41
MAPT P10636 3/20 0.37
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL71156 1.00 ITGB1 (0.41) ITGB1ITGA4MAPTTSHRGAA
SCHEMBL72473 0.96 ITGB1 (0.39) ITGB1ITGA4MAPTTSHRGAA
SCHEMBL72585 0.95 MAPT (0.40) ITGB1ITGA4MAPTTSHRGAA
SCHEMBL72586 0.95 MAPT (0.40) ITGB1ITGA4MAPTTSHRGAA
SCHEMBL71933 0.95 MAPT (0.40) ITGB1ITGA4MAPTTSHRGAA
SCHEMBL71934 0.95 MAPT (0.40) ITGB1ITGA4MAPTTSHRGAA
SCHEMBL71594 0.94 ITGB1 (0.42) ITGB1ITGA4MAPTTSHRGAA
SCHEMBL71595 0.94 ITGB1 (0.42) ITGB1ITGA4MAPTTSHRGAA
SCHEMBL71135 0.93 ITGB1 (0.47) ITGB1ITGA4MAPT
SCHEMBL71136 0.93 ITGB1 (0.47) ITGB1ITGA4MAPT

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.