SCHEMBL6425535

SCHEMBL6425535

Cc1c(C(C(=O)O)C(C)(C)C)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.46
PPARA Q07869 5/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
AKR1C3 P42330 4/20 0.43
AKR1C2 P52895 3/20 0.43
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL5558387 0.90 AKR1C3 (0.55) PPARGPPARAAKR1C3AKR1C2
SCHEMBL5553988 0.89 PPARG (0.49) PPARGPPARAPTGS1PTGS2AKR1C3
SCHEMBL5553980 0.89 PPARG (0.49) PPARGPPARAPTGS1PTGS2AKR1C3
SCHEMBL2003386 0.89 PPARG (0.49) PPARGPPARAPTGS1PTGS2AKR1C3
SCHEMBL6425840 0.88 PTGS1 (0.43) PPARGPPARAPTGS1PTGS2AKR1C3
SCHEMBL6424794 0.88 PPARG (0.47) PPARGPPARAPTGS1PTGS2AKR1C3
SCHEMBL6424838 0.87 PPARG (0.41) PPARGPPARAAKR1C3AKR1C2
SCHEMBL6425274 0.86 PPARG (0.46) PPARGPPARAPTGS1PTGS2AKR1C3
SCHEMBL6423032 0.86 PPARG (0.40) PPARGPPARAPTGS1PTGS2AKR1C3
SCHEMBL6425832 0.85 PPARG (0.49) PPARGPPARAPTGS1PTGS2AKR1C3

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 2460/4885PTGS1 7/4885

“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.