SCHEMBL2471369

SCHEMBL2471369

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
ALDH1A1 P00352 5/20 0.46
TP53 P04637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 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
SCHEMBL13092478 1.00 LTA4H (0.48) LTA4HALDH1A1TP53KDM4EGAA
SCHEMBL14639021 0.89 ALDH1A1 (0.55) ALDH1A1TP53KDM4EGAASMN1; SMN2
Hydrochloric Acid SCHEMBL1371669 0.88 ALDH1A1 (0.54) ALDH1A1TP53KDM4EGAASMN1; SMN2
SCHEMBL9370493 0.86 SMN1; SMN2 (0.47) LTA4HALDH1A1TP53KDM4EGAA
SCHEMBL19617145 0.83 MEN1 (0.47) LTA4HALDH1A1TP53KDM4EGAA
SCHEMBL23375191 0.82 SMN1; SMN2 (0.52) LTA4HALDH1A1TP53KDM4EGAA
SCHEMBL22675502 0.82 SMN1; SMN2 (0.52) LTA4HALDH1A1TP53KDM4EGAA
SCHEMBL16556615 0.82 SMN1; SMN2 (0.52) LTA4HALDH1A1TP53KDM4EGAA
SCHEMBL28521243 0.82 HRH3 (0.43) LTA4HALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL30129139 0.82 HRH3 (0.43) LTA4HALDH1A1KDM4ESMN1; SMN2MAPT

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 7 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
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

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 LTA4H 4207/4885ALDH1A1 277/4885TP53 135/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 LTA4H 4621/4885ALDH1A1 342/4885TP53 120/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 LTA4H 4621/4885ALDH1A1 342/4885TP53 120/4885

“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.