SCHEMBL5022907

SCHEMBL5022907

O=C(NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)c1cc(OCCCNC2=NCCN2)no1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.61
ITGAV P06756 17/20 0.61
ITGA2B P08514 17/20 0.52
ITGB5 P18084 1/20 0.46
ITGB6 P18564 1/20 0.46

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
SCHEMBL7346806 1.00 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL13059981 0.93 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL7399998 0.85 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL7354623 0.85 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB5
SCHEMBL7347862 0.84 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL6111422 0.84 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB5ITGB6
Iodide SCHEMBL7403601 0.84 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL5027067 0.84 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL7979125 0.83 ITGB3 (0.46) ITGB3ITGAVITGA2B
SCHEMBL7401335 0.81 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5ITGB6

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
EP-1239877-B1 COMPOSITION COMPRISING A TNF-ALPHA INHIBITOR AND AN INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONIST ABBOTT GMBH & CO KG (DE) 2008-01-09 EP disclosed
US-20060159678-A1 Modulators of cytokine mediated signaling pathways and integrin alphabeta3 receptor antagonists for combination therapy GENESTE HERVE 2006-07-20 US 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-20060159678-A1 Modulators of cytokine mediated signaling pathways and integrin alphabeta3 receptor antagonists for combination therapy ITGB3, IL6ST, IL1RN ITGB3 1/4885ITGAV 11/4885ITGA2B 10/4885

“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.