SCHEMBL6809028

SCHEMBL6809028

CCNC(=O)NC(Cc1c[nH]c(=O)nc1NC(=O)c1c(Cl)cccc1Cl)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.48
ICAM1 P05362 3/20 0.48
ITGAL P20701 3/20 0.48
ITGB1 P05556 15/20 0.46
ITGA4 P13612 14/20 0.46
ITGAV P06756 2/20 0.45
ITGB7 P26010 3/20 0.45
ITGA2 P17301 1/20 0.45
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42

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
SCHEMBL7546236 0.92 ITGB2 (0.53) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7542020 0.92 ITGB2 (0.53) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL6808854 0.90 ITGB2 (0.53) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7540625 0.89 ITGB2 (0.60) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7541919 0.89 ITGB2 (0.60) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7544012 0.89 ITGB2 (0.60) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7542050 0.89 ITGB2 (0.60) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL6807195 0.87 KMT2A (0.47) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL7538945 0.87 ITGB2 (0.60) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL6807935 0.87 ITGB2 (0.46) ITGB2ICAM1ITGALITGB1ITGA4

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 ITGB2 59/4885ICAM1 1/4885ITGAL 174/4885

“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.