SCHEMBL6807097

SCHEMBL6807097

CC1CCCC(C)N1C(=O)NC(Cc1c[nH]c(=O)nc1NC(=O)c1c(Cl)cccc1Cl)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.42
ICAM1 P05362 2/20 0.42
ITGAL P20701 2/20 0.42
ITGA4 P13612 17/20 0.39
ITGB1 P05556 14/20 0.39
ITGB7 P26010 6/20 0.38
ITGA2 P17301 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6806499 0.92 GAA (0.35) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL6807128 0.91 ITGB2 (0.45) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL6804283 0.90 ITGB2 (0.41) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL6808223 0.89 ITGA4 (0.38) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL6807444 0.85 ITGB2 (0.42) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL6803788 0.85 ITGB2 (0.42) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL6812605 0.84 ITGB2 (0.40) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7546236 0.84 ITGB2 (0.53) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL7542020 0.84 ITGB2 (0.53) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL6801497 0.83 ITGB2 (0.43) ITGB2ICAM1ITGALITGA4ITGB1

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.