SCHEMBL696762

SCHEMBL696762

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.54
GAA P10253 2/20 0.54
ALDH1A1 P00352 4/20 0.49
ALOX15 P16050 1/20 0.49
PDE3B Q13370 8/20 0.47
PDE3A Q14432 8/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL13857264 0.89 MAPK1 (0.53) MAPK1GAAALDH1A1ALOX15PDE3B
SCHEMBL2049935 0.85 PDE3B (0.50) MAPK1GAAALDH1A1ALOX15PDE3B
SCHEMBL9233695 0.81 KDM4E (0.48) MAPK1GAAALDH1A1ALOX15PDE3B
SCHEMBL696571 0.81 MAPK1 (0.51) MAPK1GAAALDH1A1ALOX15PDE3B
SCHEMBL711780 0.78 ALDH1A1 (0.65) MAPK1GAAALDH1A1ALOX15PDE3B
SCHEMBL4342719 0.77 PDE3B (0.48) MAPK1GAAALDH1A1ALOX15PDE3B
SCHEMBL695681 0.76 MAPK1 (0.43) MAPK1GAAALDH1A1ALOX15PDE3B
SCHEMBL22307957 0.74 MAPK1 (0.50) MAPK1GAAALDH1A1ALOX15PDE3B
SCHEMBL22307958 0.74 MAPK1 (0.50) MAPK1GAAALDH1A1ALOX15PDE3B
SCHEMBL698276 0.74 MAPK1 (0.56) MAPK1GAAALDH1A1ALOX15PDE3B

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022057-B2 MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-20 US claimed
EP-2227469-B9 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-09-10 EP disclosed
EP-2227469-B9 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-09-10 EP disclosed
EP-2227469-B1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-01-08 EP disclosed
EP-2227469-B1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-01-08 EP disclosed
EP-2421612-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS Novartis AG (CH) 2012-02-29 EP disclosed
US-8022057-B2 MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-20 US disclosed
US-8022057-B2 MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-20 US disclosed
US-8022057-B2 MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-20 US 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
EP-2227469-A1 MAPK/ERK KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-09-15 EP 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
WO-2009064675-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-22 WO disclosed
WO-2009064675-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-22 WO disclosed
US-20090124595-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-14 US disclosed
US-20090124595-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-14 US disclosed
US-20090124595-A1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-14 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 (2 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-20090124595-A1 MAPK/ERK KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 MAPK1 1/4885GAA 2414/4885ALDH1A1 1559/4885
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NRAS, BRAF, MAP3K1 MAPK1 5/4885GAA 3410/4885ALDH1A1 1214/4885

“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.