SCHEMBL72668

SCHEMBL72668

CCOC(=O)C1CCC(OC(C(=O)Cc2cc(Cl)c(NC(=O)c3cn(C)c4ccccc34)cc2Cl)(N2CCCC2)N2CCN(CC(F)F)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.49
ITGA4 P13612 9/20 0.49
MAPT P10636 1/20 0.38
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
KDM1A O60341 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL72667 1.00 ITGB1 (0.49) ITGB1ITGA4MAPTKMT2APOLB
SCHEMBL71060 0.96 ITGB1 (0.54) ITGB1ITGA4MAPTKMT2APOLB
SCHEMBL71061 0.96 ITGB1 (0.54) ITGB1ITGA4MAPTKMT2APOLB
SCHEMBL70581 0.93 ITGB1 (0.56) ITGB1ITGA4KMT2AKDM1A
SCHEMBL70580 0.93 ITGB1 (0.56) ITGB1ITGA4KMT2AKDM1A
SCHEMBL71428 0.93 ITGB1 (0.50) ITGB1ITGA4MAPTKMT2APOLB
SCHEMBL71429 0.93 ITGB1 (0.50) ITGB1ITGA4MAPTKMT2APOLB
SCHEMBL72835 0.93 ITGB1 (0.53) ITGB1ITGA4MAPTKMT2APOLB
SCHEMBL72836 0.93 ITGB1 (0.53) ITGB1ITGA4MAPTKMT2APOLB
SCHEMBL71809 0.92 ITGB1 (0.49) ITGB1ITGA4MAPTKMT2APOLB

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
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-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 (2 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-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.