Sugi Predict

Sugi Predict / Compounds / SCHEMBL18783137

SCHEMBL18783137

SCHEMBL18783137

CSCC(O)C(=O)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GAA P10253 2/20 0.43
▸ TSHR P16473 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FAAH O00519 1/20 0.39
▸ PHGDH O43175 1/20 0.39
▸ ALDH2 P05091 1/20 0.39
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ KMT2A Q03164 2/20 0.39

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
SCHEMBL18783162 0.82 MMP1 (0.39) SMN1; SMN2HTTALDH1A1L3MBTL1MGLL
SCHEMBL5479224 0.81 CYP3A4 (0.50) CYP3A4CYP2C19SMN1; SMN2GAATSHR
SCHEMBL12196226 0.81 CYP3A4 (0.50) CYP3A4CYP2C19SMN1; SMN2GAATSHR
SCHEMBL18783139 0.81 MMP1 (0.41) SMN1; SMN2HTTALDH1A1L3MBTL1PHGDH
SCHEMBL8483745 0.81 CYP3A4 (0.50) CYP3A4CYP2C19SMN1; SMN2GAATSHR
SCHEMBL5482918 0.78 CYP3A4 (0.47) CYP3A4CYP2C19SMN1; SMN2GAATSHR
SCHEMBL8488986 0.78 CYP3A4 (0.47) CYP3A4CYP2C19SMN1; SMN2GAATSHR
SCHEMBL14139307 0.77 CYP3A4 (0.42) CYP3A4CYP2C19SMN1; SMN2GAATSHR
SCHEMBL3062191 0.77 CYP3A4 (0.42) CYP3A4CYP2C19SMN1; SMN2GAATSHR
SCHEMBL3062227 0.77 CYP3A4 (0.42) CYP3A4CYP2C19SMN1; SMN2GAATSHR

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
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

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 CYP3A4 1291/4885CYP2C19 3820/4885SMN1; SMN2 2762/4885
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 CYP3A4 952/4885CYP2C19 3209/4885SMN1; SMN2 2216/4885

“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.