SCHEMBL6184850

SCHEMBL6184850

CS(=O)(=O)c1ccc(CP(=O)(Cl)Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.43
PTGS2 P35354 5/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP11B2 P19099 1/20 0.37
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
DAO P14920 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL6181014 0.80 ENPP2 (0.49) ENPP2PTGS2EPHX2NR1H4
SCHEMBL6182049 0.77 PTGS2 (0.43) ENPP2PTGS2EPHX2NR1H4
SCHEMBL2600037 0.75 ESR1 (0.50) ENPP2PTGS2EPHX2NR1H4KCNJ1
SCHEMBL1575569 0.74 NPY5R (0.40) ENPP2PTGS2EPHX2NR1H4DAO
SCHEMBL8363191 0.74 ENPP2 (0.42) ENPP2PTGS2EPHX2NR1H4KCNJ1
SCHEMBL398570 0.74 ENPP2 (0.50) ENPP2PTGS2CYP3A4CYP2C9KCNJ1
SCHEMBL13231429 0.73 ENPP2 (0.54) ENPP2PTGS2
SCHEMBL6182058 0.73 ENPP2 (0.41) ENPP2PTGS2EPHX2NR1H4PTGDR2
SCHEMBL2376239 0.72 ENPP2 (0.72) ENPP2PTGS2
SCHEMBL11773990 0.72 IDO1 (0.44) CYP2C9

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 ENPP2 941/4885PTGS2 382/4885EPHX2 2220/4885

“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.