SCHEMBL18485877

SCHEMBL18485877

CCN(CC)C(=O)C(O)C[Se]C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
DPP4 P27487 1/20 0.31
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL20495355 0.77 LMNA (0.39) LMNACA12CA1CA9MMP1
SCHEMBL31145674 0.75 OR51E2 (0.42) LMNACA12CA1CA9MMP1
SCHEMBL27530727 0.71 GPR84 (0.48) LMNACA12CA1CA9
SCHEMBL18783157 0.71 SMN1; SMN2 (0.36) LMNACA12CA1CA9MMP1
SCHEMBL9689376 0.71 LMNA (0.42) LMNACA12CA1CA9MMP1
SCHEMBL3056305 0.70 GABRR1 (0.37) LMNACA12CA1CA9MMP1
SCHEMBL3056302 0.70 DPP4 (0.34) LMNACA12CA1CA9MMP1
SCHEMBL1615608 0.69 LMNA (0.40) LMNACA12CA1CA9MMP1
SCHEMBL1964784 0.69 LMNA (0.40) LMNACA12CA1CA9MMP1
SCHEMBL17652005 0.69 LMNA (0.40) LMNACA12CA1CA9MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3129014-B1 NOVEL ORGANOSELENIUM COMPOUNDS, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL USES THEREOF AS ANTITUMOUR AGENTS TETRAHEDRON (FR) 2021-05-12 EP claimed
US-10308602-B2 Organoselenium compounds, method for producing same, and pharmaceutical uses thereof in particular as antitumor agents TETRAHEDRON (FR) 2019-06-04 US claimed
US-20170114011-A1 NOVEL ORGANOSELENIUM COMPOUNDS, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL USES THEREOF IN PARTICULAR AS ANTITUMOR AGENTS TETRAHEDRON (FR) 2017-04-27 US claimed
EP-3129014-A2 NOVEL ORGANOSELENIUM COMPOUNDS, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL USES THEREOF AS ANTITUMOUR AGENTS Tetrahedron (FR) 2017-02-15 EP claimed
EP-3129014-B1 NOVEL ORGANOSELENIUM COMPOUNDS, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL USES THEREOF AS ANTITUMOUR AGENTS TETRAHEDRON (FR) 2021-05-12 EP disclosed
US-10308602-B2 Organoselenium compounds, method for producing same, and pharmaceutical uses thereof in particular as antitumor agents TETRAHEDRON (FR) 2019-06-04 US disclosed
US-20170114011-A1 NOVEL ORGANOSELENIUM COMPOUNDS, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL USES THEREOF IN PARTICULAR AS ANTITUMOR AGENTS TETRAHEDRON (FR) 2017-04-27 US disclosed
EP-3129014-A2 NOVEL ORGANOSELENIUM COMPOUNDS, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL USES THEREOF AS ANTITUMOUR AGENTS Tetrahedron (FR) 2017-02-15 EP 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-20170114011-A1 NOVEL ORGANOSELENIUM COMPOUNDS, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL USES THEREOF IN PARTICULAR AS ANTITUMOR AGENTS SCLY, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC7A5 LMNA 4576/4885CA12 1965/4885CA1 1060/4885
US-10308602-B2 Organoselenium compounds, method for producing same, and pharmaceutical uses thereof in particular as antitumor agents SCLY, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PRMT5 LMNA 4592/4885CA12 2003/4885CA1 1125/4885

“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.