SCHEMBL17917294

SCHEMBL17917294

Cc1ccc(Nc2c(F)cccc2F)c(CC(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.85
PTGS1 P23219 4/20 0.83
ABCB11 O95342 2/20 0.83
NR1I3 Q14994 2/20 0.83
PPARG P37231 1/20 0.83
CAMK2A Q9UQM7 1/20 0.52
CXCL8 P10145 2/20 0.51
AKR1B10 O60218 1/20 0.46
UGT1A9 O60656 1/20 0.46
TRPA1 O75762 1/20 0.46
MT-CO2 P00403 1/20 0.46
TTR P02766 1/20 0.46
ALB P02768 1/20 0.46
UGT1A6 P19224 1/20 0.46
UGT1A1 P22309 1/20 0.46
CXCR1 P25024 1/20 0.46
ADRA1A P35348 1/20 0.46
AGTR2 P50052 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL13633978 0.93 PTGS2 (0.80) PTGS2PTGS1ABCB11NR1I3PPARG
Lumiracoxib SCHEMBL29377334 0.91 PTGS2 (1.00) PTGS2PTGS1ABCB11NR1I3PPARG
Lumiracoxib SCHEMBL4479 0.91 PTGS2 (1.00) PTGS2PTGS1ABCB11NR1I3PPARG
Lumiracoxib SCHEMBL29475008 0.91 PTGS2 (1.00) PTGS2PTGS1ABCB11NR1I3PPARG
Lumiracoxib SCHEMBL27680523 0.90 PTGS2 (0.98) PTGS2PTGS1ABCB11NR1I3PPARG
SCHEMBL1031330 0.89 PTGS2 (0.73) PTGS2PTGS1ABCB11NR1I3PPARG
SCHEMBL1032907 0.86 PTGS2 (0.69) PTGS2PTGS1ABCB11NR1I3PPARG
SCHEMBL6036626 0.86 PTGS2 (0.82) PTGS2PTGS1ABCB11NR1I3PPARG
SCHEMBL17917316 0.85 PTGS2 (0.65) PTGS2PTGS1ABCB11NR1I3PPARG
Lumiracoxib SCHEMBL6063194 0.85 PTGS2 (0.87) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3693022-A2 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS Reiley Pharmaceuticals, Inc. (US) 2020-08-12 EP disclosed
EP-3242688-B1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS REILEY PHARMACEUTICALS INC (US) 2020-01-29 EP disclosed
US-20160200752-A1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS Reiley Pharmaceuticals, Inc. 2016-07-14 US disclosed
US-20160200752-A1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS Reiley Pharmaceuticals, Inc. 2016-07-14 US disclosed
WO-2016111834-A1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS Reiley Pharmaceuticals, Inc. (US) 2016-07-14 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-20160200752-A1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS PTGS2, PTGES2, TOP2A PTGS2 1/4885PTGS1 6/4885ABCB11 2015/4885

“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.