SCHEMBL6807415

SCHEMBL6807415

O=C(NC(Cc1ccc(NC(=O)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 18/20 0.50
ITGB1 P05556 17/20 0.50
ITGA2 P17301 1/20 0.50
ITGB7 P26010 1/20 0.50
OPRK1 P41145 2/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRL1 P41146 1/20 0.47

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
SCHEMBL6807468 0.94 ITGB1 (0.54) ITGA4ITGB1ITGA2ITGB7
SCHEMBL6807443 0.91 ITGB1 (0.50) ITGA4ITGB1ITGA2ITGB7OPRK1
SCHEMBL6812370 0.89 PLD1 (0.47) ITGA4ITGB1ITGB7OPRK1OPRM1
SCHEMBL5782643 0.85 OPRK1 (0.52) ITGA4ITGB1OPRK1OPRM1OPRD1
SCHEMBL6812470 0.84 ITGB1 (0.50) ITGA4ITGB1ITGA2ITGB7OPRK1
SCHEMBL5782560 0.83 OPRK1 (0.53) OPRK1OPRM1OPRD1OPRL1
SCHEMBL6807923 0.83 CTSB (0.48) ITGA4ITGB1OPRK1
SCHEMBL5783259 0.82 OPRK1 (0.52) ITGA4ITGB1OPRK1OPRM1OPRD1
SCHEMBL13602001 0.80 ITGB1 (0.66) ITGA4ITGB1ITGB7OPRK1OPRM1
SCHEMBL21688404 0.78 OPRK1 (0.57) OPRK1OPRM1OPRD1OPRL1

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 ITGA4 221/4885ITGB1 55/4885ITGA2 104/4885

“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.