SCHEMBL6424376

SCHEMBL6424376

Cc1c(C(C(=O)O)C(C)C)c2cc(O)c(F)cc2n1C(=O)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
SRC P12931 4/20 0.38
PTGS2 P35354 5/20 0.36
PTGS1 P23219 1/20 0.33
PRKACA P17612 3/20 0.33
PRKACG P22612 3/20 0.33
PRKACB P22694 3/20 0.33

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
SCHEMBL6425754 0.94 SRC (0.38) AKR1C3AKR1C2SRCPTGS2PTGS1
SCHEMBL6424743 0.92 SRC (0.42) AKR1C3AKR1C2SRCPTGS2PTGS1
SCHEMBL6423743 0.92 PTGS2 (0.46) AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL6424980 0.90 PTGS2 (0.35) AKR1C3AKR1C2SRCPTGS2PTGS1
SCHEMBL6426355 0.90 PTGS2 (0.42) AKR1C3AKR1C2SRCPTGS2PTGS1
SCHEMBL6427457 0.90 AKR1C3 (0.40) AKR1C3AKR1C2SRCPTGS2PTGS1
SCHEMBL6426918 0.90 AKR1C3 (0.40) AKR1C3AKR1C2SRCPTGS2PTGS1
SCHEMBL5559668 0.90 AKR1C3 (0.40) AKR1C3AKR1C2SRCPTGS2PTGS1
SCHEMBL6425948 0.90 SRC (0.45) AKR1C3AKR1C2SRCPTGS2PRKACA
SCHEMBL5559665 0.90 AKR1C3 (0.40) AKR1C3AKR1C2SRCPTGS2PTGS1

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 563/4885SRC 3467/4885

“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.