SCHEMBL6507799

SCHEMBL6507799

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

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 18/20 0.51
ITGB7 P26010 15/20 0.51
ITGB1 P05556 16/20 0.49
CDK2 P24941 1/20 0.47
CNR1 P21554 1/20 0.44

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
SCHEMBL5784741 0.90 ITGA4 (0.59) ITGA4ITGB7ITGB1
SCHEMBL5780962 0.87 CDK2 (0.56) ITGA4ITGB7ITGB1CDK2
SCHEMBL5783352 0.86 ITGA4 (0.51) ITGA4ITGB7ITGB1CDK2
SCHEMBL5817952 0.86 ITGA4 (0.48) ITGA4ITGB7ITGB1CDK2CNR1
SCHEMBL5782496 0.85 ITGA4 (0.55) ITGA4ITGB7ITGB1CDK2
SCHEMBL5784145 0.85 ATM (0.55) ITGA4ITGB7ITGB1CDK2
SCHEMBL5783839 0.83 ITGA4 (0.52) ITGA4ITGB7ITGB1CDK2
SCHEMBL5786480 0.83 ITGA4 (0.53) ITGA4ITGB7ITGB1CDK2
SCHEMBL5785053 0.83 ITGA4 (0.48) ITGA4ITGB7ITGB1CDK2
SCHEMBL5785648 0.82 ITGA4 (0.53) ITGA4ITGB7ITGB1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ITGA4 2/4885ITGB7 63/4885ITGB1 7/4885

“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.