SCHEMBL6423896

SCHEMBL6423896

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

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.38
PTGS2 P35354 6/20 0.38
ABCB1 P08183 1/20 0.37
PTGS1 P23219 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL6423806 0.95 PPARG (0.39) PPARGPTGS2ABCB1PTGS1PPARA
SCHEMBL6423762 0.91 PPARG (0.40) PPARGPTGS2ABCB1PTGS1PPARA
SCHEMBL6425663 0.90 PPARG (0.37) PPARGPTGS2PPARA
SCHEMBL6423953 0.90 PTGS2 (0.49) PPARGPTGS2ABCB1PTGS1PPARA
SCHEMBL6425313 0.89 PPARG (0.42) PPARGPTGS2ABCB1PPARA
SCHEMBL6423178 0.88 AKR1C3 (0.41) PTGS2PTGS1
SCHEMBL6425338 0.88 PTGS2 (0.45) PTGS2ABCB1PTGS1
SCHEMBL6423836 0.88 PTGS2 (0.39) PTGS2ABCB1PTGS1
SCHEMBL6423143 0.87 PTGS2 (0.43) PPARGPTGS2PTGS1PPARA
SCHEMBL6423442 0.87 SRC (0.39) PTGS2ABCB1PTGS1

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 1908/4885PTGS2 4/4885ABCB1 2922/4885

“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.