SCHEMBL6807166

SCHEMBL6807166

O=C(NC1CCN(C(=O)NC(Cc2c[nH]c(=O)nc2NC(=O)c2c(Cl)cccc2Cl)C(=O)O)CC1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
PSMB5 P28074 6/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
ITGB2 P05107 2/20 0.39
ICAM1 P05362 2/20 0.39
ITGAL P20701 2/20 0.39
PSMB11 A5LHX3 1/20 0.39
PSMA7 O14818 1/20 0.39
PSMB1 P20618 1/20 0.39
PSMA1 P25786 1/20 0.39
PSMA2 P25787 1/20 0.39
PSMA3 P25788 1/20 0.39
PSMA4 P25789 1/20 0.39
PSMB8 P28062 1/20 0.39
PSMB9 P28065 1/20 0.39

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
SCHEMBL6807454 0.93 GAA (0.42) POLBPSMB5ADRA2AADRA2BADRA2C
SCHEMBL6812952 0.92 ITGB2 (0.41) POLBPSMB5ITGB2ICAM1ITGAL
SCHEMBL6808434 0.88 ITGB2 (0.41) POLBPSMB5ITGB2ICAM1ITGAL
SCHEMBL6807444 0.87 ITGB2 (0.42) ITGB2ICAM1ITGAL
SCHEMBL6803484 0.87 POLB (0.55) POLBPSMB5ITGB2ICAM1ITGAL
SCHEMBL6803788 0.86 ITGB2 (0.42) ITGB2ICAM1ITGAL
SCHEMBL6807498 0.86 ITGB1 (0.39) POLBPSMB5ITGB2ICAM1ITGAL
SCHEMBL6807406 0.86 ITGB2 (0.41) POLBITGB2ICAM1ITGAL
SCHEMBL6801497 0.85 ITGB2 (0.43) ITGB2ICAM1ITGAL
SCHEMBL6808861 0.84 CCR2 (0.51) POLBITGB2ICAM1ITGALMEN1

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 POLB 3181/4885PSMB5 1309/4885ADRA2A 3754/4885

“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.