SCHEMBL71714

SCHEMBL71714

CCOC(=O)[C@H]1CC[C@H](OC(C(=O)Cc2cc(Cl)c(NC(=O)c3cn(C)c4ccccc34)cc2F)(N2CCCC2)N2C[C@H](C)N(CCF)[C@@H](C)C2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 13/20 0.53
ITGA4 P13612 13/20 0.53
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.37
KDM1A O60341 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 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
SCHEMBL71715 1.00 ITGB1 (0.53) ITGB1ITGA4MAPTKMT2AKDM1A
SCHEMBL71918 0.94 ITGB1 (0.61) ITGB1ITGA4KDM1A
SCHEMBL71919 0.94 ITGB1 (0.61) ITGB1ITGA4KDM1A
Dimethylamine SCHEMBL9934756 0.93 ITGB1 (0.55) ITGB1ITGA4MAPTKMT2AKDM1A
SCHEMBL71360 0.92 ITGB1 (0.56) ITGB1ITGA4MAPTKMT2AKDM1A
SCHEMBL71359 0.92 ITGB1 (0.56) ITGB1ITGA4MAPTKMT2AKDM1A
SCHEMBL74315 0.92 ITGB1 (0.55) ITGB1ITGA4MAPTKMT2AKDM1A
SCHEMBL74314 0.92 ITGB1 (0.55) ITGB1ITGA4MAPTKMT2AKDM1A
SCHEMBL83952 0.91 ITGB1 (0.55) ITGB1ITGA4MAPTKMT2AKDM1A
SCHEMBL72804 0.91 ITGB1 (0.55) ITGB1ITGA4MAPTKMT2AKDM1A

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.