SCHEMBL6506324

SCHEMBL6506324

COc1cc(OCCN(C)C)cc(OC)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.59
ITGA4 P13612 16/20 0.59
ITGB7 P26010 14/20 0.59
ITGA5 P08648 4/20 0.54
ITGB3 P05106 1/20 0.51
ITGAV P06756 1/20 0.51

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
SCHEMBL5783429 0.91 ITGB1 (0.64) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL5784609 0.88 ITGA4 (0.68) ITGB1ITGA4ITGB7
SCHEMBL5786242 0.87 ITGA4 (0.62) ITGB1ITGA4ITGB7
SCHEMBL5785489 0.87 ITGA4 (0.64) ITGB1ITGA4ITGB7
SCHEMBL5785174 0.86 ITGA4 (0.70) ITGB1ITGA4ITGB7
SCHEMBL5782050 0.86 ITGA4 (0.65) ITGB1ITGA4ITGB7
SCHEMBL5787036 0.84 ITGA4 (0.68) ITGB1ITGA4ITGB7
SCHEMBL1222489 0.84 ITGA4 (0.74) ITGB1ITGA4ITGB7
SCHEMBL1222491 0.84 ITGA4 (0.74) ITGB1ITGA4ITGB7
SCHEMBL5784261 0.84 ITGA4 (0.65) ITGB1ITGA4ITGB7

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

“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.