SCHEMBL6423548

SCHEMBL6423548

CCCC(C(=O)O)c1c(C)n(C(=O)c2ccc(Br)cc2)c2cc(F)c(OC)cc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.41
PTGS1 P23219 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.37
ABCB1 P08183 1/20 0.36

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
SCHEMBL6424779 0.95 PTGS2 (0.40) PTGS2PTGS1TAS1R3TAS1R1AKR1C3
SCHEMBL5800855 0.93 PTGS1 (0.52) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6425884 0.93 PTGS2 (0.42) PTGS2PTGS1TAS1R3TAS1R1AKR1C3
SCHEMBL6424819 0.93 PTGS2 (0.42) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6424812 0.93 AKR1C3 (0.45) PTGS2PTGS1TAS1R3TAS1R1AKR1C3
SCHEMBL6425387 0.89 AKR1C3 (0.47) PTGS2PTGS1TAS1R3TAS1R1AKR1C3
SCHEMBL6424991 0.89 PTGS2 (0.54) PTGS2PTGS1TAS1R3TAS1R1AKR1C3
SCHEMBL6426540 0.88 PPARG (0.42) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6424835 0.88 SRC (0.40) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6422484 0.88 PPARG (0.48) PTGS2PTGS1AKR1C3AKR1C2PPARG

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 7/4885TAS1R3 4710/4885

“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.