SCHEMBL13879682

SCHEMBL13879682

CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc(F)cc3)cc2C(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 17/20 0.56
ITGB2 P05107 12/20 0.52
ICAM1 P05362 12/20 0.52
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CCR1 P32246 1/20 0.42
GPR183 P32249 1/20 0.41

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) ITGALITGB2ICAM1ALDH1A1LMNA
SCHEMBL13879669 0.87 ITGAL (0.54) ITGALITGB2ICAM1
SCHEMBL4290345 0.85 ITGAL (0.71) ITGALITGB2ICAM1
SCHEMBL4290339 0.85 ITGAL (0.71) ITGALITGB2ICAM1
SCHEMBL13879676 0.83 ITGAL (0.65) ITGALITGB2ICAM1ALDH1A1
SCHEMBL13879674 0.83 ITGAL (0.47) ITGALITGB2ICAM1GPR183
SCHEMBL13879624 0.75 ITGAL (0.57) ITGALITGB2ICAM1
SCHEMBL13879675 0.75 ITGAL (0.40) ITGALALDH1A1LMNA
SCHEMBL4288857 0.73 ITGAL (0.51) ITGALITGB2ICAM1ALDH1A1LMNA
SCHEMBL4288852 0.73 ITGAL (0.51) ITGALITGB2ICAM1ALDH1A1LMNA

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 3 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
WO-2007047146-A2 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-26 WO 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.