SCHEMBL2584350

SCHEMBL2584350

CC(C)(C)OC(=O)CC(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)NCCNCC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.50
KLK5 Q9Y337 2/20 0.50
MAPT P10636 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
CPB1 P15086 1/20 0.47
CPB2 Q96IY4 1/20 0.47
PTGER4 P35408 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL17287194 0.86 MAPT (0.59) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL18791213 0.86 MAPT (0.59) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL18791195 0.86 MAPT (0.56) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL13599690 0.85 MAPT (0.58) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL1328864 0.85 MAPT (0.51) KLK7KLK5MAPT
SCHEMBL12287162 0.85 KLK7 (0.49) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL2584353 0.85 KLK7 (0.49) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL1330132 0.84 KLK7 (0.47) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL30902907 0.83 MAPT (0.65) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL30902797 0.83 MAPT (0.62) KLK7KLK5MAPTSIRT2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238020-B2 Compositions comprising enzyme-cleavable phenol-modified tapentadol prodrug SIGNATURE THERAPEUTICS, INC. (US) 2016-01-19 US disclosed
US-20130090379-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified Tapentadol Prodrug SIGNATURE THERAPEUTICS, INC. (US) 2013-04-11 US disclosed
WO-2011133178-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PHENOL-MODIFIED TAPENTADOL PRODRUG PHARMACOFORE, INC (US) 2011-10-27 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 (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-20130090379-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified Tapentadol Prodrug CYP2C9, ACHE, COMT KLK7 871/4885KLK5 1107/4885MAPT 1902/4885

“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.