SCHEMBL6178949

SCHEMBL6178949

CCS(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.46
PTGS2 P35354 5/20 0.42
CA2 P00918 2/20 0.42
PSIP1 O75475 1/20 0.41
AKR1C3 P42330 1/20 0.41
RORC P51449 2/20 0.40
NR1I2 O75469 1/20 0.40
RORA P35398 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
RORB Q92753 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL27614118 0.91 ENPP2 (0.50) ENPP2PTGS2CA2RORCNR1I2
SCHEMBL6181168 0.83 ENPP2 (0.43) ENPP2PTGS2RORCNR1I2RORA
SCHEMBL4949390 0.82 ENPP2 (0.50) ENPP2PTGS2CA2RORCNR1I2
SCHEMBL172035 0.79 CA2 (0.64) ENPP2PTGS2CA2PSIP1AKR1C3
SCHEMBL12309803 0.79 CA2 (0.52) CA2
SCHEMBL24188497 0.79 TGM2 (0.40) ENPP2PTGS2AKR1C3RORCNR1I2
SCHEMBL1500953 0.78 ENPP2 (0.46) ENPP2PTGS2RORCNR1I2RORA
SCHEMBL2652094 0.78 ENPP2 (0.52) ENPP2PTGS2PSIP1AKR1C3RORC
SCHEMBL5001127 0.78 ENPP2 (0.46) ENPP2PTGS2CA2RORCNR1I2
SCHEMBL4949383 0.78 ENPP2 (0.46) ENPP2PTGS2CA2RORCNR1I2

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 ENPP2 941/4885PTGS2 382/4885CA2 2338/4885

“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.