SCHEMBL13659081

SCHEMBL13659081

CCOP(=O)(CCCc1ccccc1Nc1cccc(Cl)c1C)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 8/20 0.44
▸ PTGS2 P35354 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TTR P02766 1/20 0.42
▸ PLA2G1B P04054 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ AR P10275 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL13653000 0.79 MT-CO2 (0.39) MT-CO2PTGS2LMNAALDH1A1MEN1
SCHEMBL13652996 0.77 MT-CO2 (0.58) MT-CO2PTGS2LMNAALDH1A1MEN1
SCHEMBL13653002 0.76 MT-CO2 (0.57) MT-CO2PTGS2LMNAMEN1USP2
SCHEMBL13653001 0.74 ALDH1A1 (0.51) MT-CO2PTGS2LMNAALDH1A1MEN1
SCHEMBL13653125 0.73 PTGS2 (0.51) MT-CO2PTGS2LMNAUSP2TTR
SCHEMBL14045287 0.70 TSHR (0.49) HTR1APOLB
SCHEMBL13653128 0.69 PTGS2 (0.54) MT-CO2PTGS2LMNAUSP2TTR
SCHEMBL11560050 0.69 PTGS2 (0.56) MT-CO2PTGS2LMNAALDH1A1MEN1
SCHEMBL7164972 0.68 CXCL8 (0.75) MT-CO2PTGS2LMNAMEN1USP2
SCHEMBL11561045 0.67 P2RX7 (0.57) MT-CO2PTGS2LMNAALDH1A1MEN1

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 2 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-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 MT-CO2 4111/4885PTGS2 13/4885LMNA 2591/4885

“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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