SCHEMBL6423795

SCHEMBL6423795

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.42
PPARA Q07869 8/20 0.42
PTGS2 P35354 2/20 0.41
ABCB1 P08183 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP4X1 Q8N118 1/20 0.40
EGFR P00533 1/20 0.39
CHRM4 P08173 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRA2A P08913 1/20 0.39
ALOX5 P09917 1/20 0.39
ADRB3 P13945 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
CHRM3 P20309 1/20 0.39
TACR2 P21452 1/20 0.39

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
SCHEMBL6424235 1.00 PPARG (0.42) PPARGPPARAPTGS2ABCB1HRH3
SCHEMBL6425675 1.00 PPARG (0.42) PPARGPPARAPTGS2ABCB1HRH3
SCHEMBL6424430 0.91 PPARG (0.42) PPARGPPARAPTGS2ABCB1
SCHEMBL6423266 0.90 PPARG (0.44) PPARGPPARAPTGS2ABCB1HRH3
SCHEMBL6424871 0.90 PPARG (0.44) PPARGPPARAPTGS2ABCB1HRH3
SCHEMBL6423570 0.90 PPARG (0.44) PPARGPPARAPTGS2ABCB1HRH3
SCHEMBL6424873 0.90 PPARG (0.44) PPARGPPARAPTGS2ABCB1HRH3
SCHEMBL6423568 0.90 PPARG (0.44) PPARGPPARAPTGS2ABCB1HRH3
SCHEMBL6422621 0.90 PTGS2 (0.51) PPARGPPARAPTGS2ABCB1
SCHEMBL5560481 0.90 PTGS2 (0.51) PPARGPPARAPTGS2ABCB1

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 2460/4885PTGS2 4/4885

“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.