SCHEMBL17075965

SCHEMBL17075965

CON(C)C(=O)[C@H](c1ccccc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
KDM4E B2RXH2 1/20 0.40
FAAH O00519 1/20 0.38
ROCK2 O75116 1/20 0.37
KMT2A Q03164 3/20 0.37
JAK3 P52333 1/20 0.35
BTK Q06187 1/20 0.35
MEN1 O00255 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
AOC3 Q16853 1/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TACR1 P25103 1/20 0.33
ELOVL1 Q9BW60 1/20 0.33

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
SCHEMBL17075966 1.00 ATM (0.40) ATMKDM4EFAAHROCK2KMT2A
SCHEMBL18222289 0.87 PKM (0.41) FAAHKMT2AMEN1AOC3
SCHEMBL18222299 0.87 PKM (0.41) FAAHKMT2AMEN1AOC3
SCHEMBL16633285 0.83 ALDH1A1 (0.36) FAAHALDH1A1
SCHEMBL6822124 0.82 CES2 (0.35) KDM4EKMT2AJAK3BTKMEN1
SCHEMBL17076138 0.78 ATM (0.40) ATMKDM4EKMT2AMEN1L3MBTL1
SCHEMBL17076139 0.78 ATM (0.40) ATMKDM4EKMT2AMEN1L3MBTL1
SCHEMBL1126593 0.76 FAAH (0.44) FAAHKMT2AJAK3BTKMEN1
SCHEMBL21526204 0.76 FAAH (0.44) FAAHKMT2AJAK3BTKMEN1
SCHEMBL6716797 0.75 HDAC1 (0.39) ATMKDM4EKMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ATM 468/4885KDM4E 2166/4885FAAH 3915/4885

“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.