SCHEMBL4283957

SCHEMBL4283957

COc1ccccc1Sc1ccc(/C=C/C(=O)O)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 10/20 0.67
ITGB2 P05107 6/20 0.47
ICAM1 P05362 6/20 0.47
MAPT P10636 2/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
AR P10275 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
LMNA P02545 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TFEB P19484 1/20 0.42
NFE2L2 Q16236 1/20 0.42
NPC1 O15118 1/20 0.41
BCHE P06276 1/20 0.41
RAB9A P51151 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
SCHEMBL4283960 1.00 ITGAL (0.67) ITGALITGB2ICAM1MAPTPLA2G1B
SCHEMBL4771364 0.89 ITGAL (0.63) ITGALITGB2ICAM1MAPTAR
SCHEMBL13879663 0.85 ITGAL (0.58) ITGALITGB2ICAM1MAPTKDM4E
SCHEMBL4290311 0.85 ITGAL (0.58) ITGALITGB2ICAM1ARABCG2
SCHEMBL4290308 0.85 ITGAL (0.58) ITGALITGB2ICAM1ARABCG2
SCHEMBL4276624 0.83 ITGAL (0.57) ITGALITGB2ICAM1MAPTKDM4E
SCHEMBL4276627 0.83 ITGAL (0.57) ITGALITGB2ICAM1MAPTKDM4E
SCHEMBL13879648 0.83 ITGAL (0.78) ITGALITGB2ICAM1MAPTKDM4E
SCHEMBL13879651 0.83 ITGAL (0.57) ITGALITGB2ICAM1MAPTKDM4E
SCHEMBL2128820 0.82 ITGAL (0.54) ITGALITGB2ICAM1ARLMNA

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 4 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
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.