SCHEMBL71436

SCHEMBL71436

O=C(Nc1cc(F)c(CC(=O)C(O[C@H]2CC[C@H](C(=O)O)CC2)(N2CCCC2)N2CCCOCC2)cc1Cl)c1coc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.47
ITGA4 P13612 17/20 0.47
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
ACKR3 P25106 1/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL72078 0.94 ITGB1 (0.43) ITGB1ITGA4TP53THRBACKR3
SCHEMBL72233 0.93 ITGB1 (0.44) ITGB1ITGA4TP53THRBACKR3
SCHEMBL72234 0.93 ITGB1 (0.44) ITGB1ITGA4TP53THRBACKR3
SCHEMBL72406 0.92 ITGA4 (0.47) ITGB1ITGA4ACKR3MAOB
SCHEMBL70793 0.92 ITGA4 (0.48) ITGB1ITGA4ACKR3MAOB
SCHEMBL72405 0.92 ITGA4 (0.47) ITGB1ITGA4ACKR3MAOB
SCHEMBL70794 0.92 ITGA4 (0.48) ITGB1ITGA4ACKR3MAOB
SCHEMBL72967 0.92 ITGB1 (0.47) ITGB1ITGA4ACKR3MAOB
SCHEMBL87798 0.91 ITGA4 (0.46) ITGB1ITGA4ACKR3
SCHEMBL71281 0.91 ITGA4 (0.49) ITGB1ITGA4MAOB

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 3/4885TP53 4440/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 ITGB1 13/4885ITGA4 3/4885TP53 4330/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 ITGB1 22/4885ITGA4 3/4885TP53 4578/4885

“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.