SCHEMBL2467764

SCHEMBL2467764

COCCCC1(C(=O)OC)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.52
CYP4A11 Q02928 2/20 0.52
PKM P14618 1/20 0.44
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NR1H2 P55055 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
EPHX2 P34913 1/20 0.34
GPR119 Q8TDV5 3/20 0.34
CYP11B2 P19099 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
SCHEMBL4220810 0.89 CYP4F2 (0.62) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL29346988 0.86 CYP4F2 (0.54) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL29346987 0.86 CYP4F2 (0.54) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL23246952 0.86 CYP4F2 (0.47) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL15353442 0.86 CYP4F2 (0.49) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL15353124 0.86 CYP4F2 (0.49) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL1119882 0.85 PKM (0.45) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL31171520 0.85 CYP4F2 (0.53) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL31171637 0.85 CYP4F2 (0.53) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL2799709 0.84 PKM (0.47) CYP4F2CYP4A11PKMUSP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
EP-1966151-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2008-09-10 EP disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 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 (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-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 CYP4F2 1666/4885CYP4A11 1639/4885PKM 2652/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 CYP4F2 2249/4885CYP4A11 2627/4885PKM 2981/4885

“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.