SCHEMBL5652312

SCHEMBL5652312

CC(C)(C)OC(=O)N[C@H](CO)CCCNC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.46
CTSK P43235 9/20 0.42
CTSS P25774 7/20 0.42
CAPN1 P07384 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
ATM Q13315 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4811672 0.96 MEN1 (0.50) MEN1GAAKMT2ATDP1CTSK
SCHEMBL7730493 0.91 MEN1 (0.62) MEN1GAAKMT2ATDP1CTSK
SCHEMBL19301024 0.91 MEN1 (0.62) MEN1GAAKMT2ATDP1CTSK
SCHEMBL12666362 0.91 MEN1 (0.62) MEN1GAAKMT2ATDP1CTSK
SCHEMBL5182483 0.91 MEN1 (0.46) MEN1GAAKMT2ATDP1CTSK
SCHEMBL3185091 0.88 MEN1 (0.63) MEN1GAAKMT2ATDP1CTSK
SCHEMBL3176198 0.87 MEN1 (0.54) MEN1GAAKMT2ATDP1CTSK
SCHEMBL23168272 0.87 TDP1 (0.59) MEN1GAAKMT2ATDP1CTSK
SCHEMBL8062203 0.87 TDP1 (0.59) MEN1GAAKMT2ATDP1CTSK
SCHEMBL10190369 0.87 TDP1 (0.59) MEN1GAAKMT2ATDP1CTSK

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-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists ASTELLAS PHARMA INC. (JP) 2007-06-21 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-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists PTGER4, OXER1, RXFP4 MEN1 4001/4885GAA 4769/4885KMT2A 1128/4885

“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.