SCHEMBL6806499

SCHEMBL6806499

COC(=O)C(Cc1c[nH]c(=O)nc1NC(=O)c1c(Cl)cccc1Cl)NC(=O)N1C(C)CCCC1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
ITGA4 P13612 10/20 0.35
ITGB1 P05556 9/20 0.35
ITGB7 P26010 2/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32

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
SCHEMBL6807097 0.92 ITGB2 (0.42) ITGA4ITGB1ITGB7ITGB2ICAM1
SCHEMBL6807751 0.86 CYP3A4 (0.40) GAAITGA4ITGB1
SCHEMBL6808040 0.85 GAA (0.40) GAAITGA4ITGB1ITGB7ATM
SCHEMBL6808223 0.84 ITGA4 (0.38) GAAITGA4ITGB1ITGB7ITGB2
SCHEMBL6808623 0.84 CYP3A4 (0.42) GAAITGA4ITGB1ITGB2ICAM1
SCHEMBL6807946 0.83 GAA (0.44) GAAITGB2ICAM1ITGAL
SCHEMBL6807128 0.83 ITGB2 (0.45) ITGA4ITGB1ITGB7ITGB2ICAM1
SCHEMBL6804283 0.82 ITGB2 (0.41) ITGA4ITGB1ITGB7ITGB2ICAM1
SCHEMBL6808563 0.82 ATM (0.39) GAAATML3MBTL1
SCHEMBL6807625 0.82 MEN1 (0.47) GAASMN1; SMN2

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 GAA 2094/4885ITGA4 221/4885ITGB1 55/4885

“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.