SCHEMBL6423636

SCHEMBL6423636

COc1cc2c(C(C)C(=O)O)c(C)n(C(=O)c3ccc(C(F)(F)F)cc3)c2cc1F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.48
AKR1C2 P52895 5/20 0.48
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
PPARG P37231 4/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
SRC P12931 2/20 0.39
PRKACA P17612 2/20 0.39
PRKACG P22612 2/20 0.39
PRKACB P22694 2/20 0.39

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
SCHEMBL6424647 0.91 AKR1C3 (0.46) AKR1C3AKR1C2PTGS1PTGS2PPARG
SCHEMBL6426550 0.90 PTGS2 (0.44) AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL2002678 0.90 AKR1C3 (0.47) AKR1C3AKR1C2PTGS1PTGS2PPARG
SCHEMBL6423783 0.89 AKR1C3 (0.46) AKR1C3AKR1C2PTGS1PTGS2PPARG
SCHEMBL6424787 0.89 PTGS2 (0.54) AKR1C3AKR1C2PTGS1PTGS2PPARG
SCHEMBL6424523 0.89 AKR1C3 (0.48) AKR1C3AKR1C2PTGS1PTGS2PPARG
SCHEMBL6426029 0.88 PPARG (0.48) AKR1C3AKR1C2PTGS1PTGS2PPARG
SCHEMBL6425607 0.88 AKR1C3 (0.46) AKR1C3AKR1C2PTGS1PTGS2PPARG
SCHEMBL6424319 0.88 AKR1C3 (0.46) AKR1C3AKR1C2PTGS1PTGS2PPARG
SCHEMBL6425421 0.88 AKR1C3 (0.46) AKR1C3AKR1C2PTGS1PTGS2PPARG

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 AKR1C3 577/4885AKR1C2 563/4885PTGS1 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.