SCHEMBL6807916

SCHEMBL6807916

Cc1cccc(C)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)N1CCCC1C(=O)c1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.43
ICAM1 P05362 3/20 0.43
ITGAL P20701 3/20 0.43
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACE P12821 8/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA5 P08648 1/20 0.37
ITGA4 P13612 1/20 0.37
MME P08473 1/20 0.36
MMEL1 Q495T6 1/20 0.36
ACE2 Q9BYF1 4/20 0.36
DPP3 Q9NY33 1/20 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
SCHEMBL6808473 0.98 ITGB2 (0.42) ITGB2ICAM1ITGALALDH1A1HSD17B10
SCHEMBL6807386 0.92 ITGB2 (0.43) ITGB2ICAM1ITGALALDH1A1HSD17B10
SCHEMBL6807609 0.91 ITGB2 (0.39) ITGB2ICAM1ITGALALDH1A1HSD17B10
SCHEMBL6808926 0.91 MEN1 (0.42) ALDH1A1HSD17B10ACEITGB1ITGA4
SCHEMBL6808532 0.89 ALDH1A1 (0.40) ITGB2ICAM1ITGALALDH1A1HSD17B10
SCHEMBL6803199 0.88 ITGB1 (0.40) ITGB2ICAM1ITGALALDH1A1HSD17B10
SCHEMBL6808063 0.87 ITGB2 (0.45) ITGB2ICAM1ITGALL3MBTL1ITGB3
SCHEMBL6808563 0.85 ATM (0.39) ACEL3MBTL1ACE2
SCHEMBL6812605 0.83 ITGB2 (0.40) ITGB2ICAM1ITGALALDH1A1HSD17B10
SCHEMBL6803160 0.83 ITGB2 (0.48) ITGB2ICAM1ITGALL3MBTL1ITGB1

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.