SCHEMBL1709282

SCHEMBL1709282

CCC(=O)NCCC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MLYCD O95822 1/20 0.40
EPHX2 P34913 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
RECQL P46063 2/20 0.37
CA12 O43570 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
GAA P10253 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL947583 0.87 CASP2 (0.48) MLYCDEPHX2RECQLGAAHPGD
SCHEMBL806270 0.86 MEN1 (0.57) MEN1KMT2AEPHX2TDP1RECQL
SCHEMBL4810925 0.85 TDP1 (0.41) MEN1KMT2AMLYCDEPHX2TDP1
SCHEMBL4810916 0.85 MLYCD (0.40) MEN1KMT2AMLYCDEPHX2TDP1
SCHEMBL28978104 0.83 MEN1 (0.40) MEN1KMT2AMLYCDEPHX2TDP1
SCHEMBL16866495 0.83 MEN1 (0.40) MEN1KMT2AMLYCDEPHX2TDP1
SCHEMBL23631428 0.83 MLYCD (0.39) MEN1KMT2AMLYCDEPHX2TDP1
SCHEMBL29177616 0.83 MLYCD (0.39) MEN1KMT2AMLYCDEPHX2TDP1
SCHEMBL16761792 0.83 ECE1 (0.41) MEN1KMT2AMLYCDEPHX2TDP1
SCHEMBL947922 0.82 FAAH (0.53) EPHX2RECQLGAA

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
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 US disclosed
US-8093231-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2012-01-10 US disclosed
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES TELIK, INC. 2008-02-14 US disclosed
US-7262182-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2007-08-28 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 (2 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-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO MEN1 1064/4885KMT2A 3392/4885MLYCD 2835/4885
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES MTAP, TYMP, PHOSPHO1 MEN1 855/4885KMT2A 1619/4885MLYCD 1977/4885

“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.