SCHEMBL4524381

SCHEMBL4524381

CCOC(C(=O)O)N(C)CC12CN(S(=O)(=O)c3cc4cc(Cl)ccc4n3S(=O)(=O)c3ccccc3)CC(=O)N1CC1(CCNCC1)O2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.36
PPARA Q07869 4/20 0.36
PPARD Q03181 4/20 0.34
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
SLC2A1 P11166 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
SCHEMBL4527719 0.92 PPARG (0.34) PPARGPPARAPPARDNOD2NOD1
SCHEMBL4523344 0.88 PPARG (0.37) PPARGPPARAPPARDSLC2A1
SCHEMBL4528728 0.84 PPARG (0.39) PPARGPPARAPPARD
SCHEMBL4528222 0.84 PPARG (0.37) PPARGPPARAPPARDNOD2NOD1
SCHEMBL4534420 0.79 ALDH1A1 (0.39) PPARGPPARAPPARDSLC2A1
SCHEMBL4514925 0.77 PPARG (0.39) PPARGPPARAPPARDNOD2NOD1
SCHEMBL4522978 0.76 PPARG (0.37) PPARGPPARAPPARDNOD2NOD1
SCHEMBL4536459 0.76 PPARG (0.32) PPARGPPARAPPARD
SCHEMBL4535048 0.76 PPARG (0.37) PPARGPPARAPPARDNOD2NOD1
SCHEMBL4516582 0.75 KCNH2 (0.40)

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-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 US disclosed
EP-1864984-A1 TRICYCLIC SPIRO COMPOUND COMPRISING ACYL GROUP BOUND TO NITROGEN ATOM IN THE RING MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP 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-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring KCNH1, SCN1A, SCN10A PPARG 2153/4885PPARA 1675/4885PPARD 2726/4885

“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.