SCHEMBL5559513

SCHEMBL5559513

CCCC(C(=O)O)c1c(C)n(C(=O)c2ccc(OC(F)F)cc2)c2ccc(O)cc12

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.44
PPARA Q07869 4/20 0.44
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40

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
SCHEMBL6423143 0.94 PTGS2 (0.43) PPARGPPARAPTGS1PTGS2AKR1C3
SCHEMBL5553895 0.92 PTGS2 (0.45) PPARGPPARAPTGS1PTGS2AKR1C3
SCHEMBL6425006 0.91 AKR1C3 (0.52) PPARGPPARAPTGS1PTGS2AKR1C3
SCHEMBL6426960 0.88 PPARG (0.51) PPARGPPARAPTGS1PTGS2AKR1C3
SCHEMBL6425804 0.88 PPARG (0.51) PPARGPPARAPTGS1PTGS2AKR1C3
SCHEMBL6423844 0.87 PPARG (0.40) PPARGPPARAAKR1C3AKR1C2
SCHEMBL6423806 0.86 PPARG (0.39) PPARGPPARAPTGS1PTGS2AKR1C3
SCHEMBL6423619 0.86 PTGS2 (0.46) PPARGPPARAPTGS1PTGS2AKR1C3
SCHEMBL6423866 0.85 PTGS2 (0.61) PPARGPTGS1PTGS2AKR1C3AKR1C2
SCHEMBL6425679 0.85 PTGS2 (0.61) PPARGPTGS1PTGS2AKR1C3AKR1C2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 WO 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.