SCHEMBL6180920

SCHEMBL6180920

Cc1cc(S(C)(=O)=O)ccc1C(C)(C)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KIF11 P52732 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
G6PD P11413 1/20 0.37
IDE P14735 1/20 0.37
PTGS2 P35354 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
SCHEMBL15177370 0.85 SMN1; SMN2 (0.43) ENPP2SMN1; SMN2KIF11L3MBTL1LMNA
SCHEMBL29927070 0.84 CA2 (0.44) LMNAMEN1KMT2A
SCHEMBL19507916 0.84 CA2 (0.44) LMNAMEN1KMT2A
SCHEMBL24852674 0.81 G6PD (0.49) ENPP2SMN1; SMN2KIF11LMNAPDK1
SCHEMBL6182053 0.78 L3MBTL1 (0.61) ENPP2SMN1; SMN2L3MBTL1LMNATDP1
SCHEMBL14495147 0.77 L3MBTL1 (0.46) ENPP2SMN1; SMN2L3MBTL1LMNATDP1
SCHEMBL16849132 0.74 AKR1C3 (0.39) ENPP2SMN1; SMN2LMNAPDK1PDK2
SCHEMBL20692024 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL758951 0.73 LMNA (0.64) ENPP2SMN1; SMN2LMNATDP1ALDH1A1
SCHEMBL2228430 0.73 L3MBTL1 (0.50) ENPP2SMN1; SMN2L3MBTL1LMNATDP1

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 941/4885SMN1; SMN2 2728/4885KIF11 3663/4885

“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.