SCHEMBL6426787

SCHEMBL6426787

CCCCC(C(=O)O)c1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.41
PPARA Q07869 4/20 0.41
HRH3 Q9Y5N1 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 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
SCHEMBL6424069 1.00 PPARG (0.41) PPARGPPARAHRH3HDAC3HDAC1
SCHEMBL6422683 0.97 PPARG (0.40) PPARGPPARAHRH3
SCHEMBL6423923 0.95 PPARG (0.43) PPARGPPARAHRH3
SCHEMBL6423211 0.95 PPARG (0.43) PPARGPPARAHRH3
SCHEMBL6424336 0.91 PPARG (0.43) PPARGPPARAHRH3
SCHEMBL6425107 0.91 PPARG (0.43) PPARGPPARAHRH3
SCHEMBL5798353 0.88 PPARG (0.36) PPARGPPARA
SCHEMBL6425608 0.88 PPARG (0.42) PPARGPPARAHRH3HDAC3HDAC1
SCHEMBL6423443 0.88 PPARG (0.41) PPARGPPARA
SCHEMBL6428419 0.88 PPARG (0.42) PPARGPPARAHRH3HDAC3HDAC1

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.