SCHEMBL2471930

SCHEMBL2471930

COC(=O)C1CCN(CC(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 4/20 0.41
LTA4H P09960 1/20 0.41
TP53 P04637 1/20 0.40
WNT1 P04628 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
BRD4 O60885 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL2873641 1.00 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LTA4HTP53WNT1
SCHEMBL8140909 0.91 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TP53WNT1GSK3B
SCHEMBL9370493 0.86 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LTA4HTP53GAA
SCHEMBL2468843 0.85 HSD17B10 (0.41) SMN1; SMN2WNT1GSK3BDYRK1AHPGD
SCHEMBL13092415 0.85 HSD17B10 (0.41) SMN1; SMN2WNT1GSK3BDYRK1AHPGD
SCHEMBL9215253 0.81 GAA (0.52) SMN1; SMN2ALDH1A1LTA4HTP53GAA
SCHEMBL2471369 0.80 LTA4H (0.48) SMN1; SMN2ALDH1A1LTA4HTP53GAA
SCHEMBL13092478 0.80 LTA4H (0.48) SMN1; SMN2ALDH1A1LTA4HTP53GAA
SCHEMBL28521243 0.79 HRH3 (0.43) SMN1; SMN2ALDH1A1LTA4HMEN1KMT2A
SCHEMBL30129139 0.79 HRH3 (0.43) SMN1; SMN2ALDH1A1LTA4HMEN1KMT2A

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 9 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
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
EP-1984331-B1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORP (US) 2010-10-20 EP disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 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-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 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 (3 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 SMN1; SMN2 3973/4885ALDH1A1 277/4885LTA4H 4207/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 SMN1; SMN2 3842/4885ALDH1A1 342/4885LTA4H 4621/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 SMN1; SMN2 3842/4885ALDH1A1 342/4885LTA4H 4621/4885

“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.