SCHEMBL13653002

SCHEMBL13653002

CCOP(=O)(CCNC(=O)c1ccccc1Nc1cccc(Cl)c1C)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 13/20 0.57
▸ PTGS1 P23219 2/20 0.56
▸ PTGS2 P35354 5/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TTR P02766 1/20 0.54
▸ PLA2G1B P04054 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ PGR P06401 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ ADRA2A P08913 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ AR P10275 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54

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
SCHEMBL10310894 0.78 MT-CO2 (0.60) MT-CO2PTGS1PTGS2MEN1USP2
SCHEMBL12608897 0.77 MT-CO2 (0.61) MT-CO2PTGS1PTGS2MEN1USP2
SCHEMBL13659081 0.76 MT-CO2 (0.44) MT-CO2PTGS1PTGS2MEN1USP2
SCHEMBL13653001 0.76 ALDH1A1 (0.51) MT-CO2PTGS2MEN1USP2LMNA
SCHEMBL27937437 0.76 MT-CO2 (0.68) MT-CO2PTGS2MEN1USP2LMNA
SCHEMBL13653516 0.75 NAAA (0.57) MEN1USP2LMNAMAPTHPGD
SCHEMBL10518206 0.74 MT-CO2 (0.73) MT-CO2PTGS1PTGS2MEN1USP2
SCHEMBL10031550 0.73 MT-CO2 (0.71) MT-CO2PTGS1PTGS2MEN1USP2
SCHEMBL13653128 0.73 PTGS2 (0.54) MT-CO2PTGS1PTGS2USP2LMNA
SCHEMBL28667602 0.72 MT-CO2 (0.78) MT-CO2PTGS1PTGS2MEN1USP2

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 MT-CO2 4111/4885PTGS1 6/4885PTGS2 13/4885

“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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