SCHEMBL13879674

SCHEMBL13879674

O=C(/C=C/c1ccc(Sc2ccc(F)cc2)cc1C(F)(F)F)N1CCN(C(=O)c2ccoc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 13/20 0.47
GPR183 P32249 5/20 0.42
ITGB2 P05107 10/20 0.41
ICAM1 P05362 10/20 0.41
KCNH2 Q12809 1/20 0.39
EPHX2 P34913 1/20 0.38
ENPP2 Q13822 1/20 0.38

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
SCHEMBL4280335 0.87 ITGAL (0.44) ITGALGPR183ITGB2ICAM1ENPP2
SCHEMBL4280329 0.87 ITGAL (0.44) ITGALGPR183ITGB2ICAM1ENPP2
SCHEMBL13879682 0.83 ITGAL (0.56) ITGALGPR183ITGB2ICAM1
SCHEMBL13879669 0.83 ITGAL (0.54) ITGALITGB2ICAM1
SCHEMBL13879673 0.82 ITGAL (0.54) ITGALGPR183ITGB2ICAM1
SCHEMBL4290339 0.78 ITGAL (0.71) ITGALITGB2ICAM1ENPP2
SCHEMBL4290345 0.78 ITGAL (0.71) ITGALITGB2ICAM1ENPP2
SCHEMBL4280109 0.78 ITGAL (0.43) ITGALGPR183ITGB2ICAM1ENPP2
SCHEMBL4280115 0.78 ITGAL (0.43) ITGALGPR183ITGB2ICAM1ENPP2
SCHEMBL13879676 0.75 ITGAL (0.65) ITGALITGB2ICAM1ENPP2

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 4495/4885GPR183 1510/4885ITGB2 4487/4885

“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.