SCHEMBL13653128

SCHEMBL13653128

CCOP(=O)(CCNC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.54
▸ PTGS1 P23219 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ AKR1C3 P42330 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ CA12 O43570 7/20 0.53
▸ CA4 P22748 7/20 0.53
▸ CA9 Q16790 7/20 0.53
▸ CA1 P00915 5/20 0.53
▸ CA2 P00918 5/20 0.53
▸ TTR P02766 3/20 0.53
▸ AKR1B10 O60218 1/20 0.53
▸ UGT1A9 O60656 1/20 0.53
▸ TRPA1 O75762 1/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ MT-CO2 P00403 1/20 0.53

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
SCHEMBL13911574 0.83 PTGS2 (0.64) PTGS2PTGS1CYP2C9CYP3A4GAA
SCHEMBL13653126 0.83 PTGS2 (0.49) PTGS2PTGS1CYP2C9CYP3A4GAA
SCHEMBL18500866 0.82 CA12 (0.62) PTGS2PTGS1CYP2C9CYP3A4GAA
SCHEMBL25948151 0.82 PTGS2 (0.63) PTGS2PTGS1CYP2C9CYP3A4GAA
SCHEMBL13299169 0.79 PTGS2 (0.66) PTGS2PTGS1CYP2C9CYP3A4GAA
SCHEMBL13653125 0.79 PTGS2 (0.51) PTGS2PTGS1CYP2C9CYP3A4GAA
SCHEMBL15340508 0.77 CA12 (0.64) PTGS2PTGS1CYP2C9CYP3A4GAA
SCHEMBL10310895 0.76 CA12 (0.62) PTGS2PTGS1CYP2C9CYP3A4GAA
SCHEMBL12651566 0.75 CA12 (0.65) PTGS2PTGS1CYP2C9CYP3A4GAA
SCHEMBL10797057 0.75 CA12 (0.65) PTGS2PTGS1CYP2C9CYP3A4GAA

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 13/4885PTGS1 6/4885CYP2C9 2411/4885

“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.

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