SCHEMBL6807498

SCHEMBL6807498

O=C(Nc1nc(=O)[nH]cc1CC(NC(=O)N1CCC(C(=O)C2CCCCC2)CC1)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.39
ITGA4 P13612 10/20 0.39
ITGB2 P05107 2/20 0.38
ICAM1 P05362 2/20 0.38
ITGAL P20701 2/20 0.38
ITGB7 P26010 4/20 0.38
POLB P06746 1/20 0.37
CALCRL Q16602 2/20 0.37
CYP3A4 P08684 1/20 0.37
PSMB5 P28074 2/20 0.36
ITGA5 P08648 3/20 0.36
ITGB3 P05106 2/20 0.36
ITGAV P06756 2/20 0.36

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
SCHEMBL6808040 0.92 GAA (0.40) ITGB1ITGA4ITGB7POLBCALCRL
SCHEMBL6803788 0.91 ITGB2 (0.42) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL6807444 0.90 ITGB2 (0.42) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL6812952 0.90 ITGB2 (0.41) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL6808434 0.88 ITGB2 (0.41) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL6807406 0.87 ITGB2 (0.41) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL6803484 0.87 POLB (0.55) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL6801497 0.86 ITGB2 (0.43) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL6807166 0.86 POLB (0.42) ITGB2ICAM1ITGALPOLBPSMB5
SCHEMBL6812885 0.85 ITGB2 (0.42) ITGB1ITGA4ITGB2ICAM1ITGAL

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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient TORAY INDUSTRIES, INC. (JP) 2004-02-26 US disclosed
EP-1323709-A1 UREA DERIVATIVE AND ADHESIVE-MOLECULE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-02 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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient ICAM1, VCAM1, EPCAM ITGB1 55/4885ITGA4 221/4885ITGB2 59/4885

“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.