SCHEMBL4206277

SCHEMBL4206277

CC(C)(C)OC(=O)NCCC(NC(=O)C(F)(F)F)c1cnn2c1NCCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.34
KMT2A Q03164 9/20 0.34
SPR P35270 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
POLB P06746 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ROCK2 O75116 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
MAPT P10636 1/20 0.32
ITGAV P06756 1/20 0.32
ITGB6 P18564 1/20 0.32
SSTR4 P31391 2/20 0.32

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
SCHEMBL4198052 0.84 MEN1 (0.32) MEN1KMT2ASPRTDP1POLB
SCHEMBL4198051 0.84 MEN1 (0.32) MEN1KMT2ASPRTDP1POLB
SCHEMBL4207415 0.83 MEN1 (0.37) MEN1KMT2ATDP1NPSR1ATM
SCHEMBL5009492 0.79
SCHEMBL4198044 0.79
SCHEMBL4199303 0.78 MEN1 (0.33) MEN1KMT2ATDP1POLBNPSR1
SCHEMBL4193786 0.77 MEN1 (0.38) MEN1KMT2ATDP1ATMALDH1A1
SCHEMBL5000816 0.74
SCHEMBL5496128 0.73 EPHX1 (0.40) NPSR1ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL4196108 0.73 ITGB3 (0.35) MEN1KMT2ATDP1POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012054-A1 Cephem Compounds and Use as Antimicrobial Agents ASTELLAS PHARMA INC. (JP) 2009-01-08 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-20090012054-A1 Cephem Compounds and Use as Antimicrobial Agents CEP170, Q6ZSR9, H1-10 MEN1 590/4885KMT2A 2117/4885SPR 1600/4885

“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.