SCHEMBL6808063

SCHEMBL6808063

Cc1cccc(C)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)N1CCC(C(=O)c2ccccc2)CC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.45
ICAM1 P05362 3/20 0.45
ITGAL P20701 3/20 0.45
POLB P06746 1/20 0.39
CCKBR P32239 7/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TNKS O95271 2/20 0.37
PARP1 P09874 2/20 0.37
TNKS2 Q9H2K2 2/20 0.37
ITGB1 P05556 2/20 0.37
ITGA4 P13612 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA2B P08514 1/20 0.37
ITGA5 P08648 1/20 0.37
ITGB5 P18084 1/20 0.37

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
SCHEMBL6812952 0.91 ITGB2 (0.41) ITGB2ICAM1ITGALPOLBMEN1
SCHEMBL6808312 0.90 HSD17B10 (0.42) POLBCCKBRMEN1KMT2ATNKS
SCHEMBL6807369 0.90 ITGB2 (0.45) ITGB2ICAM1ITGALPOLBL3MBTL1
SCHEMBL6803160 0.89 ITGB2 (0.48) ITGB2ICAM1ITGALPOLBL3MBTL1
SCHEMBL6807897 0.88 POLB (0.55) ITGB2ICAM1ITGALPOLBL3MBTL1
SCHEMBL6812112 0.88 ITGB2 (0.47) ITGB2ICAM1ITGALPOLBL3MBTL1
SCHEMBL6807916 0.87 ITGB2 (0.43) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL6807096 0.87 ITGB2 (0.46) ITGB2ICAM1ITGALPOLBL3MBTL1
SCHEMBL6808473 0.86 ITGB2 (0.42) ITGB2ICAM1ITGALL3MBTL1ITGB1
SCHEMBL6807289 0.85 ITGB2 (0.45) ITGB2ICAM1ITGALPOLBL3MBTL1

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.