SCHEMBL6180801

SCHEMBL6180801

CS(=O)(=O)c1ccc(CC(=O)C2CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
PTGS2 P35354 1/20 0.43
GPR119 Q8TDV5 3/20 0.43
KCNH2 Q12809 2/20 0.43
ENPP2 Q13822 1/20 0.42
KMT2A Q03164 1/20 0.42
CCR5 P51681 3/20 0.41
OPRK1 P41145 1/20 0.40
RORC P51449 1/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8381452 0.92 KMT2A (0.49) EPHX1PTGS2GPR119KCNH2KMT2A
SCHEMBL27109801 0.83 KCNJ1 (0.43) EPHX1PTGS2KCNH2ENPP2KMT2A
SCHEMBL12834066 0.78 HPGD (0.50) KMT2AALDH1A1
SCHEMBL8052632 0.76 PTGDR2 (0.54) PTGS2ENPP2ALDH1A1
SCHEMBL14042690 0.76 CA2 (0.54) KMT2A
SCHEMBL2396163 0.76 ENPP2 (0.50) PTGS2ENPP2EPHX2NR1H4
SCHEMBL168163 0.76 PTGDR2 (0.54) PTGS2ENPP2ALDH1A1
Lithium Ion SCHEMBL16341759 0.76 ENPP2 (0.50) PTGS2ENPP2RORCEPHX2NR1H4
Hydrochloric Acid SCHEMBL15411526 0.74 PTGDR2 (0.52) PTGS2ENPP2ALDH1A1
SCHEMBL4068509 0.74 ENPP2 (0.48) PTGS2ENPP2EPHX2NR1H4

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 6 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
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 EPHX1 1156/4885PTGS2 382/4885GPR119 2883/4885

“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.