SCHEMBL13879669

SCHEMBL13879669

O=C(/C=C/c1ccc(Sc2ccc(F)cc2)cc1C(F)(F)F)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.54
ITGB2 P05107 18/20 0.54
ICAM1 P05362 18/20 0.54

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
SCHEMBL13879673 0.89 ITGAL (0.54) ITGALITGB2ICAM1
SCHEMBL13879682 0.87 ITGAL (0.56) ITGALITGB2ICAM1
SCHEMBL4276982 0.85 ITGAL (0.53) ITGALITGB2ICAM1
SCHEMBL4276975 0.85 ITGAL (0.53) ITGALITGB2ICAM1
SCHEMBL4290339 0.85 ITGAL (0.71) ITGALITGB2ICAM1
SCHEMBL4290345 0.85 ITGAL (0.71) ITGALITGB2ICAM1
SCHEMBL13879674 0.83 ITGAL (0.47) ITGALITGB2ICAM1
SCHEMBL13879676 0.81 ITGAL (0.65) ITGALITGB2ICAM1
SCHEMBL13879678 0.81 CYP3A4 (0.52)
SCHEMBL28500166 0.77 RAB9A (0.62) ITGALITGB2ICAM1

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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 ITGAL 4495/4885ITGB2 4487/4885ICAM1 2947/4885

“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.