SCHEMBL16965151

SCHEMBL16965151

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.46
CTSD P07339 1/20 0.44
OPRM1 P35372 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
BCAT2 O15382 1/20 0.43
OPRK1 P41145 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL16965677 1.00 LMNA (0.53) LMNAGAACTSDOPRM1ALDH1A1
SCHEMBL16965512 1.00 LMNA (0.53) LMNAGAACTSDOPRM1ALDH1A1
SCHEMBL16830003 0.87 LMNA (0.51) LMNAGAAALDH1A1HTTBCAT2
SCHEMBL16830004 0.87 LMNA (0.51) LMNAGAAALDH1A1HTTBCAT2
SCHEMBL14663976 0.83 LMNA (0.46) LMNACTSDOPRM1ALDH1A1HTT
SCHEMBL14663948 0.83 LMNA (0.46) LMNACTSDOPRM1ALDH1A1HTT
SCHEMBL17076035 0.83 LMNA (0.47) LMNAGAAALDH1A1HTTBCAT2
SCHEMBL17076037 0.83 LMNA (0.47) LMNAGAAALDH1A1HTTBCAT2
SCHEMBL10338251 0.81 GAA (0.50) LMNAGAACTSDALDH1A1HTT
SCHEMBL5318111 0.81 ALDH1A1 (0.39) LMNACTSDOPRM1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900223-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-10-25 EP disclosed
US-9226922-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 US disclosed
EP-2900223-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-05 EP 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 (1 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-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 LMNA 4615/4885GAA 3089/4885CTSD 3827/4885

“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.