Lumiracoxib

Lumiracoxib

SCHEMBL6063194

Cc1ccc(Nc2c(F)cc(F)cc2Cl)c(CC(=O)O)c1.Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1

nearest known ligand 0.87

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGS2

The experimentally established mechanism targets of Lumiracoxib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 known ✓ P35354 11/20 0.87
PTGS1 P23219 4/20 0.87
ABCB11 O95342 2/20 0.87
NR1I3 Q14994 2/20 0.87
PPARG P37231 1/20 0.87
CAMK2A Q9UQM7 2/20 0.56
TTR P02766 2/20 0.50
CXCL8 P10145 2/20 0.50
AKR1B10 O60218 1/20 0.50
UGT1A9 O60656 1/20 0.50
TRPA1 O75762 1/20 0.50
MT-CO2 P00403 1/20 0.50
ALB P02768 1/20 0.50
UGT1A6 P19224 1/20 0.50
UGT1A1 P22309 1/20 0.50
CXCR1 P25024 1/20 0.50
ADRA1A P35348 1/20 0.50
AGTR2 P50052 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
NR1H4 Q96RI1 1/20 0.50

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
SCHEMBL1031441 0.93 PTGS2 (0.74) PTGS2PTGS1ABCB11NR1I3PPARG
Lumiracoxib SCHEMBL4479 0.93 PTGS2 (1.00) PTGS2PTGS1ABCB11NR1I3PPARG
Lumiracoxib SCHEMBL29377334 0.93 PTGS2 (1.00) PTGS2PTGS1ABCB11NR1I3PPARG
Lumiracoxib SCHEMBL29475008 0.93 PTGS2 (1.00) PTGS2PTGS1ABCB11NR1I3PPARG
Lumiracoxib SCHEMBL27680523 0.92 PTGS2 (0.98) PTGS2PTGS1ABCB11NR1I3PPARG
SCHEMBL1031733 0.85 PTGS2 (1.00) PTGS2PTGS1ABCB11NR1I3PPARG
SCHEMBL17917294 0.85 PTGS2 (0.85) PTGS2PTGS1ABCB11NR1I3PPARG
SCHEMBL5533958 0.84 PTGS2 (0.82) PTGS2PTGS1ABCB11NR1I3PPARG
SCHEMBL1031420 0.84 PTGS2 (0.83) PTGS2PTGS1ABCB11NR1I3PPARG
SCHEMBL3120262 0.84 PTGS2 (0.82) PTGS2PTGS1ABCB11NR1I3PPARG

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079579-A1 Combinations of valsartan with cox-2 inhibitors PLAT FRANCIS 2006-04-13 US claimed
EP-1575581-A1 COMBINATIONS OF VALSARTAN WITH COX-2 INHIBITORS Novartis AG (CH) 2005-09-21 EP claimed
WO-2004054575-A1 COMBINATIONS OF VALSARTAN WITH COX-2 INHIBITORS NOVARTIS AG (CH) 2004-07-01 WO claimed
US-20060079579-A1 Combinations of valsartan with cox-2 inhibitors PLAT FRANCIS 2006-04-13 US disclosed
EP-1575581-A1 COMBINATIONS OF VALSARTAN WITH COX-2 INHIBITORS Novartis AG (CH) 2005-09-21 EP disclosed
WO-2004054575-A1 COMBINATIONS OF VALSARTAN WITH COX-2 INHIBITORS NOVARTIS AG (CH) 2004-07-01 WO 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-20060079579-A1 Combinations of valsartan with cox-2 inhibitors AGTR2, AGTR1, PTGER2 PTGS2 9/4885PTGS1 25/4885ABCB11 1146/4885

“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.