SCHEMBL6793586

SCHEMBL6793586

CC(C)(C)OC(=O)N[C@](CCCO)(C(=O)O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSK P43235 6/20 0.33
CTSS P25774 5/20 0.33
CA1 P00915 3/20 0.33
CA7 P43166 2/20 0.33
CA12 O43570 2/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CA2 P00918 2/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.32
CA9 Q16790 1/20 0.31
GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL6791470 0.86 MEN1 (0.36) TDP1MEN1GAAKMT2ACTSK
SCHEMBL11569761 0.84 TDP1 (0.37) TDP1MEN1GAAKMT2ANAALAD2
Hydrochloric Acid SCHEMBL1846715 0.84 MEN1 (0.36) TDP1MEN1GAAKMT2ACTSK
SCHEMBL5031613 0.83 NAALAD2 (0.44) TDP1MEN1GAAKMT2ACTSK
SCHEMBL1486212 0.83 NAALAD2 (0.44) TDP1MEN1GAAKMT2ACTSK
SCHEMBL4911352 0.80 TDP1 (0.53) TDP1MEN1GAAKMT2ACTSK
SCHEMBL9067717 0.80 TDP1 (0.53) TDP1MEN1GAAKMT2ACTSK
SCHEMBL1200142 0.78 CA1 (0.35) TDP1MEN1GAAKMT2ACTSK
SCHEMBL3785294 0.78 MEN1 (0.40) TDP1MEN1GAAKMT2ACTSK
SCHEMBL8915151 0.78 MEN1 (0.40) TDP1MEN1GAAKMT2ACTSK

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-20040110806-A1 Dipeptide derivatives ALTMANN EVA (CH) 2004-06-10 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-20040110806-A1 Dipeptide derivatives CTSL, CTSZ, CTSS TDP1 2648/4885MEN1 3373/4885GAA 1215/4885

“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.