SCHEMBL6808434

SCHEMBL6808434

O=C(Nc1nc(=O)[nH]cc1CC(NC(=O)N1CCC(c2ccccc2)CC1)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.41
ICAM1 P05362 2/20 0.41
ITGAL P20701 2/20 0.41
POLB P06746 1/20 0.40
MMP3 P08254 1/20 0.38
CALCA P06881 2/20 0.38
ITGA4 P13612 5/20 0.37
DGAT1 O75907 2/20 0.37
CCR2 P41597 1/20 0.37
CCR1 P32246 1/20 0.37
ITGB1 P05556 4/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
PSMB5 P28074 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
SCHEMBL6807946 0.92 GAA (0.44) ITGB2ICAM1ITGALPOLBCALCA
SCHEMBL6807369 0.91 ITGB2 (0.45) ITGB2ICAM1ITGALPOLBMMP3
SCHEMBL6812952 0.91 ITGB2 (0.41) ITGB2ICAM1ITGALPOLBITGA4
SCHEMBL6808861 0.90 CCR2 (0.51) ITGB2ICAM1ITGALPOLBCCR2
SCHEMBL6807444 0.89 ITGB2 (0.42) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL6803484 0.89 POLB (0.55) ITGB2ICAM1ITGALPOLBITGA4
SCHEMBL6803788 0.88 ITGB2 (0.42) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL6807848 0.88 TACR1 (0.40) ITGB2ICAM1ITGALPOLBMMP3
SCHEMBL6807166 0.88 POLB (0.42) ITGB2ICAM1ITGALPOLBPSMB5
SCHEMBL6807498 0.88 ITGB1 (0.39) ITGB2ICAM1ITGALPOLBITGA4

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.