SCHEMBL6183726

SCHEMBL6183726

CS(=O)(=O)c1ccc(CP(=O)(O)OC(CC(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
EPHX2 P34913 3/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
PTGS2 P35354 5/20 0.33
CTSF Q9UBX1 1/20 0.33
PGK1 P00558 2/20 0.33
PGK2 P07205 2/20 0.33
GCK P35557 1/20 0.32
ENPP2 Q13822 1/20 0.32
EPHX1 P07099 1/20 0.32
GRM4 Q14833 1/20 0.32

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
SCHEMBL2035464 0.82 FDPS (0.40) PTPN1PGK1PGK2
SCHEMBL8363191 0.73 ENPP2 (0.42) PTPN1EPHX2NR1H4PTGS2ENPP2
SCHEMBL6182058 0.72 ENPP2 (0.41) PTPN1EPHX2NR1H4PTGS2ENPP2
SCHEMBL2156055 0.70
SCHEMBL6181014 0.70 ENPP2 (0.49) EPHX2NR1H4PTGS2PGK1PGK2
SCHEMBL6183722 0.69 PTGS2 (0.40) PTPN1EPHX2NR1H4PTGS2
SCHEMBL3600899 0.66 ACHE (0.33)
SCHEMBL6820979 0.66
SCHEMBL29709265 0.66
Hydrochloric Acid SCHEMBL11040551 0.65

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
US-6919353-B2 Substituted 8-arylquinolune PDE4 inhibitors MERCK FROSST CANADA & CO. (CA) 2005-07-19 US disclosed
EP-1404330-B1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC (CA) 2005-06-01 EP disclosed
US-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2004-08-19 US disclosed
EP-1404330-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-04-07 EP disclosed
WO-2003002118-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-01-09 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-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors PDE12, PDE4A, PDE4B PTPN1 220/4885EPHX2 2220/4885CTSL 1927/4885

“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.