SCHEMBL578075

SCHEMBL578075

COC(=O)C1CC(Oc2nc(-c3nc(C(F)(F)F)cs3)nc3c(C)c(OC)ccc23)CCN1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.34
RAB9A P51151 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
IDH1 O75874 1/20 0.32
SLC5A7 Q9GZV3 2/20 0.32
CYP1A2 P05177 1/20 0.32
IRAK4 Q9NWZ3 3/20 0.32
EGFR P00533 1/20 0.31
PTK2 Q05397 1/20 0.31
IRAK1 P51617 1/20 0.31
KCNH2 Q12809 1/20 0.31
PDE11A Q9HCR9 1/20 0.31
GPR6 P46095 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL18870109 0.87 CTSS (0.40) PIK3CDRAB9APPARDPPARAPDE4A
SCHEMBL13090489 0.85 TP53 (0.38) PPARDPPARAPDE4BEGFRMEN1
SCHEMBL578241 0.84 PIM2 (0.37) PPARDPPARAIDH1
SCHEMBL13090493 0.84 PIM2 (0.37) PPARDPPARAIDH1
SCHEMBL591780 0.83 EGFR (0.34) PPARDPPARAEGFR
SCHEMBL13090495 0.83 EGFR (0.34) PPARDPPARAEGFR
SCHEMBL592193 0.78 PPARD (0.32) PPARDPPARAEGFR
SCHEMBL13090494 0.78 PPARD (0.32) PPARDPPARAEGFR
SCHEMBL578076 0.76 PPARD (0.35) PPARDPPARAIDH1
SCHEMBL13090479 0.73 TP53 (0.39) PDE4BEGFRMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 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 (2 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-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PIK3CD 3424/4885RAB9A 2215/4885PPARD 3441/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PIK3CD 3424/4885RAB9A 2215/4885PPARD 3441/4885

“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.