SCHEMBL6423643

SCHEMBL6423643

Cc1c(C(C(=O)O)C2CCC2)c2cc(O)c(Cl)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
PPARG P37231 9/20 0.38
PPARA Q07869 3/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PTGS2 P35354 3/20 0.37
ABCB1 P08183 1/20 0.37
MAPK7 Q13164 2/20 0.37
PTGS1 P23219 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
SCHEMBL5559188 0.98 PTGS2 (0.39) MGLLHRH3PPARGPPARAFFAR4
SCHEMBL5560433 0.91 PPARG (0.39) MGLLHRH3PPARGPPARAMAPK7
SCHEMBL6426825 0.90 PTGS2 (0.49) PPARGPPARAPTGS2ABCB1MAPK7
SCHEMBL6423670 0.89 PPARG (0.38) PPARGPTGS2ABCB1PTGS1
SCHEMBL6424855 0.89 PPARG (0.39) HRH3PPARGPPARAPTGS2MAPK7
SCHEMBL6423464 0.89 SRC (0.41) MGLLPPARGPTGS2PTGS1
SCHEMBL6423390 0.88 PTGS2 (0.49) PPARGPPARAPTGS2ABCB1MAPK7
SCHEMBL5553716 0.88 AKR1C3 (0.39) MGLLPTGS2PTGS1
SCHEMBL6424495 0.88 PTGS2 (0.37) MGLLPTGS2ABCB1PTGS1
SCHEMBL6423862 0.88 PTGS2 (0.43) MGLLPPARGPTGS2ABCB1PTGS1

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 MGLL 108/4885HRH3 536/4885PPARG 1908/4885

“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.