SCHEMBL6423249

SCHEMBL6423249

CCC(C(=O)O)c1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(Cl)c(O)cc12

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.44
PPARA Q07869 4/20 0.44
HRH3 Q9Y5N1 2/20 0.42
ABCB1 P08183 1/20 0.41
PTGS2 P35354 6/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL6426622 0.93 PPARG (0.45) PPARGPPARAHRH3ABCB1PTGS2
SCHEMBL6425313 0.91 PPARG (0.42) PPARGPPARAABCB1PTGS2
SCHEMBL6423236 0.90 PPARG (0.46) PPARGPPARAHRH3
SCHEMBL6423391 0.90 PPARG (0.46) PPARGPPARAHRH3
SCHEMBL6424707 0.89 PTGS2 (0.54) PPARGPPARAABCB1PTGS2PTGS1
SCHEMBL5559645 0.89 PPARG (0.44) PPARGPPARAABCB1PTGS2PTGS1
SCHEMBL6424235 0.89 PPARG (0.42) PPARGPPARAHRH3ABCB1PTGS2
SCHEMBL6425675 0.89 PPARG (0.42) PPARGPPARAHRH3ABCB1PTGS2
SCHEMBL6423795 0.89 PPARG (0.42) PPARGPPARAHRH3ABCB1PTGS2
SCHEMBL6423762 0.88 PPARG (0.40) PPARGPPARAABCB1PTGS2PTGS1

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 2460/4885HRH3 536/4885

“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.