SCHEMBL6424485

SCHEMBL6424485

CCC(C)[C@H](C(=O)O)c1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.42
PPARA Q07869 9/20 0.41
HRH3 Q9Y5N1 2/20 0.39
PTGS2 P35354 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP4X1 Q8N118 1/20 0.36
EGFR P00533 1/20 0.36
CHRM4 P08173 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRA2A P08913 1/20 0.36
ALOX5 P09917 1/20 0.36
ADRB3 P13945 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
CHRM3 P20309 1/20 0.36
TACR2 P21452 1/20 0.36
DRD1 P21728 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
SCHEMBL6423447 1.00 PPARG (0.42) PPARGPPARAHRH3PTGS2CYP2C9
SCHEMBL6424489 1.00 PPARG (0.42) PPARGPPARAHRH3PTGS2CYP2C9
SCHEMBL6423448 1.00 PPARG (0.42) PPARGPPARAHRH3PTGS2CYP2C9
SCHEMBL6423823 1.00 PPARG (0.42) PPARGPPARAHRH3PTGS2CYP2C9
SCHEMBL6423768 0.91 PPARG (0.40) PPARGPPARA
SCHEMBL6425107 0.89 PPARG (0.43) PPARGPPARAHRH3
SCHEMBL6424336 0.89 PPARG (0.43) PPARGPPARAHRH3
SCHEMBL6425016 0.88 PPARG (0.42) PPARGPPARAHRH3PTGS2
SCHEMBL6425018 0.88 PPARG (0.42) PPARGPPARAHRH3PTGS2
SCHEMBL6425138 0.88 PPARG (0.42) PPARGPPARAHRH3PTGS2

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.