SCHEMBL6424855

SCHEMBL6424855

Cc1c(C(C(=O)O)C2CCCC2)c2cc(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.39
HRH3 Q9Y5N1 2/20 0.39
PPARA Q07869 5/20 0.38
HSD11B1 P28845 1/20 0.38
EPHX2 P34913 1/20 0.37
MAPK7 Q13164 2/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
PTGS2 P35354 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 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
SCHEMBL5560433 0.98 PPARG (0.39) PPARGHRH3PPARAHSD11B1EPHX2
SCHEMBL5559188 0.91 PTGS2 (0.39) PPARGHRH3PPARAMAPK7PDE4B
SCHEMBL6426815 0.90 PDE4B (0.43) PPARGPPARAMAPK7PDE4BPDE4D
SCHEMBL6423643 0.89 MGLL (0.39) PPARGHRH3PPARAMAPK7PTGS2
SCHEMBL6422650 0.89 MEN1 (0.37) PPARGPPARAPTGS2AKR1C3AKR1C2
SCHEMBL6424990 0.89 SRC (0.42) HSD11B1AKR1C3AKR1C2
SCHEMBL6426909 0.88 KMT2A (0.35) HSD11B1EPHX2PTGS2AKR1C3AKR1C2
SCHEMBL6423904 0.88 AKR1C3 (0.37) HSD11B1EPHX2PTGS2AKR1C3AKR1C2
SCHEMBL6427114 0.88 PPARG (0.42) PPARGPPARAMAPK7PDE4BPDE4D
SCHEMBL6423961 0.88 PPARG (0.43) PPARGHRH3PPARAPTGS2AKR1C3

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 1908/4885HRH3 536/4885PPARA 2460/4885

“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.