SCHEMBL6424804

SCHEMBL6424804

Cc1c(CCC(=O)NC[C@H](C)C(=O)O)c2c(F)c(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.42
PPARG P37231 11/20 0.41
PPARA Q07869 5/20 0.41
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
PTGS1 P23219 1/20 0.38

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
SCHEMBL5558727 0.92 PTGS2 (0.49) PTGS2PPARGPPARAAKR1C3AKR1C2
SCHEMBL5559892 0.89 PTGS2 (0.43) PTGS2PPARGPPARAAKR1C3AKR1C2
SCHEMBL5811222 0.88 AKR1C3 (0.48) PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL5554113 0.88 AKR1C3 (0.41) PTGS2PPARGPPARAAKR1C3AKR1C2
SCHEMBL5554980 0.85 PTGS2 (0.40) PTGS2PPARGPPARAAKR1C3AKR1C2
SCHEMBL5554281 0.85 AKR1C3 (0.41) PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL5554208 0.85 PTGS2 (0.45) PTGS2PPARGPPARAAKR1C3AKR1C2
SCHEMBL5554626 0.85 PTGS2 (0.50) PTGS2PPARGPPARAAKR1C3AKR1C2
SCHEMBL5558625 0.84 PPARG (0.39) PTGS2PPARGPPARAAKR1C3AKR1C2
SCHEMBL5560732 0.84 AKR1C3 (0.42) PTGS2AKR1C3AKR1C2PTGS1

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 2 patents. 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
US-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 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 (2 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-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 PTGS2 3/4885PPARG 308/4885PPARA 715/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885PPARG 1908/4885PPARA 2460/4885

“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.