SCHEMBL6424167

SCHEMBL6424167

Cc1c(C(C(=O)O)C(C)(C)C)c2cc(O)ccc2n1C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.45
PTGS1 P23219 3/20 0.45
AKR1C3 P42330 4/20 0.38
AKR1C2 P52895 4/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRND Q07001 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6424115 0.91 PTGS2 (0.45) PTGS2PTGS1AKR1C3AKR1C2MEN1
SCHEMBL6425546 0.88 MEN1 (0.34) PTGS2PTGS1AKR1C3AKR1C2MEN1
SCHEMBL6425671 0.87 PTGS2 (0.60) PTGS2PTGS1AKR1C3AKR1C2MEN1
SCHEMBL5554331 0.87 PTGS2 (0.48) PTGS2PTGS1AKR1C3AKR1C2MEN1
SCHEMBL5554328 0.87 PTGS2 (0.48) PTGS2PTGS1AKR1C3AKR1C2MEN1
SCHEMBL5545890 0.87 PTGS2 (0.48) PTGS2PTGS1AKR1C3AKR1C2MEN1
SCHEMBL6425023 0.87 AKR1C3 (0.45) PTGS2PTGS1AKR1C3AKR1C2GAA
SCHEMBL6426784 0.86 PTGS2 (0.46) PTGS2PTGS1AKR1C3AKR1C2MEN1
SCHEMBL6425976 0.85 PTGS2 (0.47) PTGS2PTGS1AKR1C3AKR1C2MEN1
SCHEMBL6424459 0.85 PTGS2 (0.47) PTGS2PTGS1AKR1C3AKR1C2GAA

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 PTGS2 4/4885PTGS1 7/4885AKR1C3 577/4885

“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.