SCHEMBL6180942

SCHEMBL6180942

Cc1ccc(C(=O)Cc2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
GSR P00390 2/20 0.51
PTGS2 P35354 2/20 0.51
AKR1C3 P42330 1/20 0.50
RECQL P46063 1/20 0.47
HSD11B1 P28845 1/20 0.47
KMT2A Q03164 3/20 0.47
PAX8 Q06710 1/20 0.47
LMNA P02545 1/20 0.47
GSK3B P49841 1/20 0.46

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
SCHEMBL780498 0.87 NPC1 (0.63) NPC1RAB9AL3MBTL1RECQLHSD11B1
SCHEMBL7619212 0.87 SRD5A2 (0.56) NPC1RAB9AL3MBTL1GSRAKR1C3
SCHEMBL5218244 0.86 NPC1 (0.81) NPC1RAB9AL3MBTL1KMT2ALMNA
SCHEMBL6970870 0.85 PTGS2 (0.53) GSRPTGS2AKR1C3KMT2APAX8
SCHEMBL4772305 0.85 PTGS2 (0.53) GSRPTGS2AKR1C3KMT2APAX8
SCHEMBL6168486 0.85 CA1 (0.62) NPC1RAB9AL3MBTL1KMT2A
SCHEMBL8602859 0.85 MAPT (0.59) L3MBTL1GSRPTGS2AKR1C3LMNA
SCHEMBL6341279 0.85 PTGS2 (0.51) L3MBTL1GSRPTGS2RECQL
SCHEMBL7625358 0.83 CA12 (0.52) NPC1RAB9AGSRPTGS2KMT2A
SCHEMBL9028776 0.83 CA12 (0.52) NPC1RAB9AGSRPTGS2KMT2A

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 NPC1 2515/4885RAB9A 536/4885L3MBTL1 3190/4885

“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.