SCHEMBL2070699

SCHEMBL2070699

CC(CCCOCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.54
STAT3 P40763 1/20 0.41
IDH1 O75874 3/20 0.41
NAAA Q02083 2/20 0.40
GBA1 P04062 2/20 0.37
UGCG Q16739 2/20 0.37
GBA2 Q9HCG7 2/20 0.37
AGTR2 P50052 1/20 0.37
FAAH O00519 1/20 0.36
TEAD3 Q99594 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL6601336 1.00 IL6ST (0.54) IL6STSTAT3IDH1NAAAGBA1
SCHEMBL30984038 0.94 IL6ST (0.56) IL6STSTAT3IDH1NAAAAGTR2
SCHEMBL6597608 0.87 PPARA (0.47) IL6STIDH1NAAAGBA1UGCG
SCHEMBL8826143 0.86 IL6ST (0.59) IL6STSTAT3IDH1NAAAFAAH
SCHEMBL30984014 0.85 NAAA (0.51) IL6STSTAT3IDH1NAAAFAAH
SCHEMBL7794117 0.84 IL6ST (0.49) IL6STSTAT3IDH1NAAAGBA1
SCHEMBL6598726 0.84 NAAA (0.53) IL6STSTAT3IDH1NAAAGBA1
SCHEMBL2072708 0.84 NAAA (0.53) IL6STSTAT3IDH1NAAAGBA1
SCHEMBL13986788 0.84 PPARA (0.47) IL6STIDH1NAAAGBA1UGCG
SCHEMBL12937771 0.82 IL6ST (0.55) IL6STSTAT3IDH1GBA1GBA2

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-7893268-B2 Epithiolone analogues UNIVERSITY OF TOLEDO (US) 2011-02-22 US disclosed
US-20090258904-A1 Epithiolone Analogues UNIVERSITY OF TOLEDO 2009-10-15 US disclosed
WO-2007015929-A2 EPOTHILONE ANALOGUES UNIVERSITY OF TOLEDO (US) 2007-02-08 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-20090258904-A1 Epithiolone Analogues ESRRB, ESR2, ESRRA IL6ST 2627/4885STAT3 2254/4885IDH1 2420/4885

“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.