SCHEMBL4947951

SCHEMBL4947951

CCOC(=O)C1CCC(OC(C(=O)Cc2cc(Cl)c(NC(=O)c3cn(C)c4ccccc34)cc2F)(N2CCCC2)N2CCN(C3(C)CC3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 0.54
ITGA4 P13612 11/20 0.54
MAPT P10636 1/20 0.38
KMT2A Q03164 3/20 0.38
KDM1A O60341 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 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
SCHEMBL4947943 1.00 ITGB1 (0.54) ITGB1ITGA4MAPTKMT2AKDM1A
SCHEMBL4950918 0.93 ITGB1 (0.62) ITGB1ITGA4KMT2AKDM1AMEN1
SCHEMBL4950930 0.93 ITGB1 (0.62) ITGB1ITGA4KMT2AKDM1AMEN1
SCHEMBL71694 0.93 ITGB1 (0.56) ITGB1ITGA4MAPTKMT2AKDM1A
SCHEMBL71695 0.93 ITGB1 (0.56) ITGB1ITGA4MAPTKMT2AKDM1A
SCHEMBL74230 0.93 ITGB1 (0.55) ITGB1ITGA4MAPTKMT2AKDM1A
SCHEMBL74231 0.93 ITGB1 (0.55) ITGB1ITGA4MAPTKMT2AKDM1A
SCHEMBL74314 0.92 ITGB1 (0.55) ITGB1ITGA4MAPTKMT2AKDM1A
SCHEMBL74315 0.92 ITGB1 (0.55) ITGB1ITGA4MAPTKMT2AKDM1A
SCHEMBL73560 0.91 ITGB1 (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 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 (1 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

“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.