SCHEMBL17897690

SCHEMBL17897690

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C[C@@H]3OC1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)[C@H](C)O1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.59
▸ THRB P10828 8/20 0.59
▸ KMT2A Q03164 8/20 0.59
▸ HTT P42858 3/20 0.59
▸ LMNA P02545 2/20 0.59
▸ ABCC4 O15439 2/20 0.59
▸ ABCC2 Q92887 2/20 0.59
▸ ABCC3 O15438 1/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ EBP Q15125 2/20 0.52
▸ DHCR7 Q9UBM7 2/20 0.52
▸ RECQL P46063 6/20 0.52
▸ BLM P54132 6/20 0.52
▸ TDP1 Q9NUW8 5/20 0.52
▸ TOP2A P11388 5/20 0.52
▸ HIF1A Q16665 5/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ BRCA1 P38398 5/20 0.52
▸ MAPT P10636 4/20 0.52
▸ MAPK1 P28482 4/20 0.52

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
SCHEMBL17897685 0.91 MEN1 (0.61) MEN1THRBKMT2AHTTLMNA
SCHEMBL17897683 0.86 MEN1 (0.66) MEN1THRBKMT2AHTTLMNA
SCHEMBL17897686 0.85 MEN1 (0.66) MEN1THRBKMT2AHTTLMNA
SCHEMBL15304012 0.82 MEN1 (0.76) MEN1THRBKMT2AHTTLMNA
SCHEMBL17897710 0.82 MEN1 (0.76) MEN1THRBKMT2AHTTLMNA
SCHEMBL14524997 0.80 MEN1 (0.69) MEN1THRBKMT2AHTTLMNA
SCHEMBL13529834 0.80 MEN1 (0.68) MEN1THRBKMT2AHTTLMNA
SCHEMBL14525160 0.79 MEN1 (0.69) MEN1THRBKMT2AHTTLMNA
SCHEMBL14524996 0.79 MEN1 (0.66) MEN1THRBKMT2AHTTLMNA
SCHEMBL14525159 0.79 MEN1 (0.66) MEN1THRBKMT2AHTTLMNA

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
US-9861703-B2 Multi-targeted Ubenimex prodrug derivative and preparation method and use thereof JINAN PLATINUM PHARMATECH CO. LTD. (CN) 2018-01-09 — — US disclosed
US-20160193347-A1 MULTI-TARGETED UBENIMEX PRODRUG DERIVATIVE AND PREPARATION METHOD AND USE THEREOF WEIFANG BOCHUANG INTERNATIONAL ACADEMY OF BIOTECHNOLOGY AND MEDICINE (CN) 2016-07-07 — — US disclosed
US-20160193347-A1 MULTI-TARGETED UBENIMEX PRODRUG DERIVATIVE AND PREPARATION METHOD AND USE THEREOF WEIFANG BOCHUANG INTERNATIONAL ACADEMY OF BIOTECHNOLOGY AND MEDICINE (CN) 2016-07-07 — — 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-20160193347-A1 MULTI-TARGETED UBENIMEX PRODRUG DERIVATIVE AND PREPARATION METHOD AND USE THEREOF ANPEP, DNPEP, ENPEP MEN1 2159/4885THRB 4400/4885KMT2A 3039/4885

“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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