SCHEMBL71430

SCHEMBL71430

COC1CN(C(O[C@H]2CC[C@H](C(=O)O)CC2)(C(=O)Cc2cc(Cl)c(NC(=O)c3csc4ccccc34)cc2F)N2CCCC2)C1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 19/20 0.49
ITGB1 P05556 18/20 0.49
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 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
SCHEMBL71431 1.00 ITGA4 (0.49) ITGA4ITGB1ALDH1A1TSHRHTT
SCHEMBL72514 0.96 ITGB1 (0.48) ITGA4ITGB1ALDH1A1TSHRHTT
SCHEMBL72007 0.96 ITGB1 (0.48) ITGA4ITGB1ALDH1A1TSHRHTT
SCHEMBL72083 0.96 ITGB1 (0.47) ITGA4ITGB1
SCHEMBL72028 0.96 ITGB1 (0.47) ITGA4ITGB1
SCHEMBL74228 0.95 ITGB1 (0.48) ITGA4ITGB1ALDH1A1TSHRHTT
SCHEMBL74227 0.95 ITGB1 (0.48) ITGA4ITGB1ALDH1A1TSHRHTT
SCHEMBL71135 0.94 ITGB1 (0.47) ITGA4ITGB1
SCHEMBL71136 0.94 ITGB1 (0.47) ITGA4ITGB1
SCHEMBL71802 0.94 ITGB1 (0.49) ITGA4ITGB1

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 ITGA4 3/4885ITGB1 16/4885ALDH1A1 216/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 ITGA4 3/4885ITGB1 13/4885ALDH1A1 207/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 ITGA4 3/4885ITGB1 22/4885ALDH1A1 525/4885

“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.