SCHEMBL13653126

SCHEMBL13653126

CCOP(=O)(CC(=O)NCc1ccccc1Nc1c(Cl)cccc1Cl)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.49
▸ TTR P02766 3/20 0.49
▸ PTGS1 P23219 2/20 0.49
▸ AKR1B10 O60218 1/20 0.49
▸ UGT1A9 O60656 1/20 0.49
▸ TRPA1 O75762 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ MT-CO2 P00403 1/20 0.49
▸ ALB P02768 1/20 0.49
▸ CXCL8 P10145 1/20 0.49
▸ UGT1A6 P19224 1/20 0.49
▸ UGT1A1 P22309 1/20 0.49
▸ CXCR1 P25024 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ AGTR2 P50052 1/20 0.49
▸ NR1I3 Q14994 1/20 0.49
▸ SLC22A6 Q4U2R8 1/20 0.49
▸ NR1H4 Q96RI1 1/20 0.49
▸ UGT1A7 Q9HAW7 1/20 0.49
▸ UGT1A10 Q9HAW8 1/20 0.49

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
SCHEMBL13653128 0.83 PTGS2 (0.54) PTGS2TTRPTGS1AKR1B10UGT1A9
SCHEMBL13653125 0.81 PTGS2 (0.51) PTGS2TTRPTGS1AKR1B10UGT1A9
SCHEMBL6097208 0.77 MAPK14 (0.58) MT-CO2LMNAKMT2A
SCHEMBL13653120 0.77 PTGS2 (0.62) PTGS2TTRPTGS1AKR1B10UGT1A9
SCHEMBL31345012 0.75 NPSR1 (0.61) GAAKMT2AHTT
SCHEMBL18500866 0.73 CA12 (0.62) PTGS2TTRPTGS1AKR1B10UGT1A9
SCHEMBL13653001 0.73 ALDH1A1 (0.51) PTGS2TTRMT-CO2ADRA1ACYP2C9
SCHEMBL13911574 0.72 PTGS2 (0.64) PTGS2TTRPTGS1AKR1B10UGT1A9
SCHEMBL764380 0.72 PTGS2 (0.66) PTGS2TTRPTGS1AKR1B10UGT1A9
SCHEMBL22846863 0.72 PTGS2 (0.71) PTGS2TTRPTGS1AKR1B10UGT1A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — 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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES PTGS2 13/4885TTR 670/4885PTGS1 6/4885

“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.

Send feedback