SCHEMBL16830003

SCHEMBL16830003

CC(C)(O)[C@@H](NC(N)=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
MAPK1 P28482 8/20 0.46
GAA P10253 1/20 0.45
GPR88 Q9GZN0 1/20 0.44
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BCAT2 O15382 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
OPRK1 P41145 1/20 0.41
MAPT P10636 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
SCHEMBL16830004 1.00 LMNA (0.51) LMNAMAPK1GAAGPR88HTT
SCHEMBL16965151 0.87 LMNA (0.53) LMNAGAAHTTALDH1A1BCAT2
SCHEMBL16965512 0.87 LMNA (0.53) LMNAGAAHTTALDH1A1BCAT2
SCHEMBL16965677 0.87 LMNA (0.53) LMNAGAAHTTALDH1A1BCAT2
SCHEMBL1953208 0.85 MAPK1 (0.48) LMNAMAPK1GPR88HTTALDH1A1
SCHEMBL4337140 0.85 MAPK1 (0.47) LMNAMAPK1GPR88HTTKMT2A
SCHEMBL17076151 0.83 MAPK1 (0.48) MAPK1HTTALDH1A1
SCHEMBL16847286 0.83 MAPK1 (0.48) MAPK1HTTALDH1A1
SCHEMBL4341623 0.82 GPR88 (0.47) LMNAMAPK1GPR88HTTKMT2A
SCHEMBL4338097 0.82 MAPK1 (0.45) LMNAMAPK1GPR88HTTOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
EP-3082810-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-09-26 EP disclosed
EP-2900241-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-08-08 EP disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
EP-3233858-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 EP disclosed
EP-2900223-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-10-25 EP disclosed
EP-2900223-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-10-25 EP disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-9546168-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-17 US disclosed
US-9546168-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-17 US disclosed
US-9226922-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
CN-105050598-A Novel compounds as ERK inhibitors MERCK SHARP & DOHME 2015-11-11 CN disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 US disclosed
EP-2900241-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-05 EP disclosed
EP-2900223-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-05 EP disclosed
WO-2015094929-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015094929-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-06-25 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-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 LMNA 4756/4885MAPK1 1/4885GAA 1545/4885
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 LMNA 4603/4885MAPK1 1/4885GAA 2656/4885
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 LMNA 4615/4885MAPK1 1/4885GAA 3089/4885

“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.