SCHEMBL12022418

SCHEMBL12022418

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CCCC(N)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.79
▸ THRB P10828 8/20 0.79
▸ KMT2A Q03164 8/20 0.79
▸ RECQL P46063 6/20 0.79
▸ BLM P54132 6/20 0.79
▸ HIF1A Q16665 6/20 0.79
▸ SMN1; SMN2 Q16637 6/20 0.79
▸ BRCA1 P38398 6/20 0.79
▸ TDP1 Q9NUW8 5/20 0.79
▸ MAPT P10636 5/20 0.79
▸ TOP2A P11388 4/20 0.79
▸ MAPK1 P28482 4/20 0.79
▸ STAT6 P42226 4/20 0.79
▸ CHRM1 P11229 3/20 0.79
▸ TBXA2R P21731 3/20 0.79
▸ KDM4E B2RXH2 3/20 0.79
▸ ALDH1A1 P00352 3/20 0.79
▸ ABCB1 P08183 3/20 0.79
▸ HTT P42858 3/20 0.79
▸ FYN P06241 2/20 0.79

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
SCHEMBL13675027 1.00 MEN1 (0.79) MEN1THRBKMT2ARECQLBLM
SCHEMBL17929839 0.96 MEN1 (0.78) MEN1THRBKMT2ARECQLBLM
SCHEMBL15682452 0.96 MEN1 (0.78) MEN1THRBKMT2ARECQLBLM
SCHEMBL14524965 0.96 MEN1 (0.78) MEN1THRBKMT2ARECQLBLM
SCHEMBL14867452 0.96 MEN1 (0.84) MEN1THRBKMT2ARECQLBLM
SCHEMBL31237938 0.94 MEN1 (0.77) MEN1THRBKMT2ARECQLBLM
SCHEMBL10138466 0.94 MEN1 (0.81) MEN1THRBKMT2ARECQLBLM
SCHEMBL16015696 0.93 MEN1 (0.80) MEN1THRBKMT2ARECQLBLM
SCHEMBL26387964 0.93 MEN1 (0.80) MEN1THRBKMT2ARECQLBLM
SCHEMBL12462937 0.93 MEN1 (0.80) MEN1THRBKMT2ARECQLBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110300147-A9 Inhibiting tumor cell invasion, metastasis and angiogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2011-12-08 — — US disclosed
US-20110300147-A9 Inhibiting tumor cell invasion, metastasis and angiogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2011-12-08 — — US disclosed
US-20100113328-A1 Targeted delivery to legumain-expressing cells THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-06 — — US disclosed
US-20100113328-A1 Targeted delivery to legumain-expressing cells THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-06 — — US disclosed
US-7608591-B2 Prodrug comprising cytosine arabinoside or doxorubicin linked to legumain peptide substrate having peptide consisting of amino acid sequence Ala-Ala-Asn-Leu where legumain cleaves peptide at link between Asn and other amino acid to generate active cytosine arabinoside or doxorubicin from prodrug; cancer THE SCRIPPS RESEARCH INSTITUTE (US) 2009-10-27 — — US disclosed
US-20090175873-A1 Inhibiting tumor cell invasion, metastasis and angiogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2009-07-09 — — US disclosed
US-20090175873-A1 Inhibiting tumor cell invasion, metastasis and angiogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2009-07-09 — — 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 (3 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-20100113328-A1 Targeted delivery to legumain-expressing cells LGMN, ENGASE, MMEL1 MEN1 901/4885THRB 4022/4885KMT2A 4067/4885
US-20090175873-A1 Inhibiting tumor cell invasion, metastasis and angiogenesis MMP9, TIMP3, MMP3 MEN1 2733/4885THRB 3917/4885KMT2A 3581/4885
US-20110300147-A9 Inhibiting tumor cell invasion, metastasis and angiogenesis MMP9, TIMP3, MMP3 MEN1 2733/4885THRB 3917/4885KMT2A 3581/4885

“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.

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