SCHEMBL6180916

SCHEMBL6180916

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 3/20 0.43
HSD11B1 P28845 1/20 0.41
NR1I2 O75469 1/20 0.38
RCE1 Q9Y256 1/20 0.38
KIF11 P52732 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 2/20 0.36
NR1H4 Q96RI1 2/20 0.36
NPC1 O15118 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL4495162 0.94 KIF11 (0.45) KMT2AMEN1HSD11B1NR1I2RCE1
SCHEMBL2376809 0.83 ALDH1A1 (0.47) EPHX2NR1H4TRPV1
SCHEMBL17803562 0.82 KIF11 (0.56) KMT2AMEN1HSD11B1NR1I2KIF11
SCHEMBL22280037 0.79 KIF11 (0.41) KMT2AMEN1HSD11B1NR1I2KIF11
SCHEMBL2375558 0.78 KIF11 (0.59) KMT2AKIF11
SCHEMBL4503685 0.76 CA2 (0.52) KMT2ARCE1L3MBTL1
SCHEMBL19601358 0.76 KMT2A (0.45) KMT2AMEN1HSD11B1NR1I2NPC1
SCHEMBL29217460 0.74 ENPP2 (0.50) RCE1
SCHEMBL710399 0.74 CA1 (0.50) KMT2AMEN1RCE1NPC1TDP1
SCHEMBL128572 0.73 LPL (0.46) KMT2AMEN1KIF11

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 KMT2A 1982/4885MEN1 3937/4885HSD11B1 1431/4885

“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.