SCHEMBL695681

SCHEMBL695681

CCOC(=O)c1c(OS(=O)(=O)C(F)(F)F)c(C)c(=O)n2c1CCC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.43
GAA P10253 3/20 0.43
PDE3B Q13370 8/20 0.42
PDE3A Q14432 8/20 0.42
ALDH1A1 P00352 4/20 0.40
ALOX15 P16050 1/20 0.39
ADORA1 P30542 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL696832 0.80 MAPK1 (0.47) MAPK1GAAPDE3BPDE3AALDH1A1
SCHEMBL13857264 0.78 MAPK1 (0.53) MAPK1GAAPDE3BPDE3AALDH1A1
SCHEMBL696762 0.76 MAPK1 (0.54) MAPK1GAAPDE3BPDE3AALDH1A1
SCHEMBL2049935 0.75 PDE3B (0.50) MAPK1GAAPDE3BPDE3AALDH1A1
SCHEMBL696571 0.71 MAPK1 (0.51) MAPK1GAAPDE3BPDE3AALDH1A1
SCHEMBL4342719 0.71 PDE3B (0.48) MAPK1GAAPDE3BPDE3AALDH1A1
SCHEMBL29284709 0.69 ADORA1 (0.35) ALDH1A1ADORA1MAPTKDM4EMEN1
SCHEMBL923890 0.68 PDE3B (0.41) PDE3BPDE3A
SCHEMBL22307958 0.68 MAPK1 (0.50) MAPK1GAAPDE3BPDE3AALDH1A1
SCHEMBL25620998 0.67 CA12 (0.49) MAPK1GAAALDH1A1MAPTKDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421612-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS Novartis AG (CH) 2012-02-29 EP disclosed
WO-2011067356-A2 POLYMORPHS OF A MEK INHIBITOR NOVARTIS AG (CH) 2011-06-09 WO disclosed
WO-2011067356-A2 POLYMORPHS OF A MEK INHIBITOR NOVARTIS AG (CH) 2011-06-09 WO disclosed
WO-2011067348-A2 MEK INHIBITOR SALTS AND SOLVATES THEREOF NOVARTIS AG (CH) 2011-06-09 WO disclosed
WO-2011067348-A2 MEK INHIBITOR SALTS AND SOLVATES THEREOF NOVARTIS AG (CH) 2011-06-09 WO disclosed
WO-2010121646-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS NOVARTIS AG (CH) 2010-10-28 WO disclosed
WO-2010121646-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS NOVARTIS AG (CH) 2010-10-28 WO disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 US disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 US disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 US 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-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NRAS, BRAF, MAP3K1 MAPK1 5/4885GAA 3410/4885PDE3B 1543/4885

“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.