SCHEMBL5784145

SCHEMBL5784145

COC(=O)[C@H](Cc1ccc(-c2ccccc2C(=O)NCc2ccccc2)cc1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.55
CHRNB2 P17787 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA4 P43681 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
ITGA4 P13612 12/20 0.50
ITGB7 P26010 11/20 0.50
ITGB1 P05556 11/20 0.50
CDK2 P24941 1/20 0.49
TACR3 P29371 1/20 0.48
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46

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
SCHEMBL5784333 0.90 ITGA4 (0.60) CHRNB2CHRNB4CHRNA3CHRNA4ITGA4
SCHEMBL5780962 0.89 CDK2 (0.56) ITGA4ITGB7ITGB1CDK2
SCHEMBL5783352 0.86 ITGA4 (0.51) ITGA4ITGB7ITGB1CDK2
SCHEMBL5786480 0.85 ITGA4 (0.53) ATMITGA4ITGB7ITGB1CDK2
SCHEMBL6507799 0.85 ITGA4 (0.51) ITGA4ITGB7ITGB1CDK2
SCHEMBL297398 0.84 ATM (0.61) ATML3MBTL1ITGA4ITGB7ITGB1
SCHEMBL5783839 0.83 ITGA4 (0.52) ITGA4ITGB7ITGB1CDK2NOS3
SCHEMBL5785648 0.82 ITGA4 (0.53) ITGA4ITGB7ITGB1CDK2NOS3
SCHEMBL5782667 0.82 ITGA4 (0.63) ITGA4ITGB7ITGB1
SCHEMBL5784049 0.82 ITGA4 (0.57) ITGA4ITGB7ITGB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049662-B1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2006-06-21 EP disclosed
US-6855843-B2 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-02-15 US disclosed
US-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-10-09 US disclosed
US-6521666-B1 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-02-18 US 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-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion ITGB4, ITGA4, VCAM1 ATM 4562/4885CHRNB2 259/4885CHRNB4 24/4885

“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.