SCHEMBL20504231

SCHEMBL20504231

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(NNC(=O)CCC(N)C(=O)O)C(O)C(C)O1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.72
▸ KMT2A Q03164 9/20 0.72
▸ THRB P10828 8/20 0.72
▸ BLM P54132 7/20 0.72
▸ RECQL P46063 6/20 0.72
▸ TOP2A P11388 5/20 0.72
▸ TDP1 Q9NUW8 5/20 0.72
▸ HIF1A Q16665 5/20 0.72
▸ SMN1; SMN2 Q16637 5/20 0.72
▸ BRCA1 P38398 5/20 0.72
▸ MAPT P10636 4/20 0.72
▸ MAPK1 P28482 4/20 0.72
▸ HTT P42858 4/20 0.72
▸ PTGS1 P23219 3/20 0.72
▸ CHRM1 P11229 3/20 0.72
▸ TBXA2R P21731 3/20 0.72
▸ KDM4E B2RXH2 3/20 0.72
▸ ALDH1A1 P00352 3/20 0.72
▸ ABCB1 P08183 3/20 0.72
▸ ABCC1 P33527 3/20 0.72

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
SCHEMBL43830 0.90 MEN1 (0.83) MEN1KMT2ATHRBBLMRECQL
SCHEMBL20504175 0.90 HDAC6 (0.64) MEN1KMT2ATHRBBLMRECQL
SCHEMBL17285798 0.90 HDAC6 (0.64) MEN1KMT2ATHRBBLMRECQL
SCHEMBL22102210 0.90 HDAC6 (0.64) MEN1KMT2ATHRBBLMRECQL
SCHEMBL22409662 0.90 MEN1 (0.80) MEN1KMT2ATHRBBLMRECQL
Hydrochloric Acid SCHEMBL1771543 0.90 MEN1 (0.83) MEN1KMT2ATHRBBLMRECQL
Hydrochloric Acid SCHEMBL27900762 0.90 MEN1 (0.83) MEN1KMT2ATHRBBLMRECQL
Doxorubicin SCHEMBL21122087 0.89 MEN1 (0.84) MEN1KMT2ATHRBBLMRECQL
SCHEMBL4586684 0.89 MEN1 (0.81) MEN1KMT2ATHRBBLMRECQL
SCHEMBL16137956 0.88 MEN1 (0.72) MEN1KMT2ATHRBBLMRECQL

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-3378495-B1 COMPOSITION COMPRISING NOVEL GLUTAMIC ACID DERIVATIVE AND BLOCK COPOLYMER, AND USE THEREOF NIPPON KAYAKU KK (JP) 2020-08-05 — — EP disclosed
US-20200190101-A1 Composition Containing Novel Glutamic Acid Derivative And Block Copolymer, And Use Thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2020-06-18 — — US disclosed
EP-3378495-A1 COMPOSITION COMPRISING NOVEL GLUTAMIC ACID DERIVATIVE AND BLOCK COPOLYMER, AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2018-09-26 — — 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 (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-20200190101-A1 Composition Containing Novel Glutamic Acid Derivative And Block Copolymer, And Use Thereof GGCT, GGT1, TGM2 MEN1 1080/4885KMT2A 1627/4885THRB 295/4885

“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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