SCHEMBL6425849

SCHEMBL6425849

Cc1c([C@](C)(C(=O)O)C2CCCC2)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.37
PPARA Q07869 1/20 0.37
HSD11B1 P28845 1/20 0.36
PDE4B Q07343 5/20 0.35
MGLL Q99685 1/20 0.35
PDE4D Q08499 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
PTGS2 P35354 2/20 0.34
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34

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
SCHEMBL6427454 0.98 PPARG (0.37) PPARGPPARAHSD11B1PDE4BMGLL
SCHEMBL6424291 0.89 AKR1C3 (0.39) PPARGMGLLPTGDR2PTGS2AKR1C3
SCHEMBL6426727 0.88 PPARG (0.38) PPARGPPARAHSD11B1PDE4BMGLL
SCHEMBL6425575 0.87 AKR1C3 (0.39) PPARGMGLLPTGDR2PTGS2AKR1C3
SCHEMBL6425959 0.87 MEN1 (0.33) HSD11B1AKR1C3AKR1C2
SCHEMBL6425986 0.86 PPARG (0.38) PPARGPPARAHSD11B1MGLLPTGDR2
SCHEMBL6424338 0.86 PPARG (0.41) PPARGPPARAPTGDR2PTGS2AKR1C3
SCHEMBL6425312 0.85 PPARG (0.39) PPARGPPARAHSD11B1PDE4BMGLL
SCHEMBL6453546 0.85 PDE2A (0.35) MGLLAKR1C3AKR1C2
SCHEMBL6424162 0.85 TSHR (0.35) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 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 (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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PPARG 1908/4885PPARA 2460/4885HSD11B1 1120/4885

“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.