SCHEMBL23136499

SCHEMBL23136499

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)OCCSSCCC(=O)O)[C@H](O)[C@H](C)O1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.71
▸ KMT2A Q03164 9/20 0.71
▸ THRB P10828 8/20 0.71
▸ BLM P54132 7/20 0.71
▸ RECQL P46063 6/20 0.71
▸ TOP2A P11388 5/20 0.71
▸ TDP1 Q9NUW8 5/20 0.71
▸ HIF1A Q16665 5/20 0.71
▸ SMN1; SMN2 Q16637 5/20 0.71
▸ BRCA1 P38398 5/20 0.71
▸ MAPT P10636 4/20 0.71
▸ MAPK1 P28482 4/20 0.71
▸ HTT P42858 4/20 0.71
▸ CHRM1 P11229 3/20 0.71
▸ TBXA2R P21731 3/20 0.71
▸ PTGS1 P23219 3/20 0.71
▸ KDM4E B2RXH2 3/20 0.71
▸ ALDH1A1 P00352 3/20 0.71
▸ ABCB1 P08183 3/20 0.71
▸ FYN P06241 2/20 0.71

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
SCHEMBL31680273 0.96 MEN1 (0.67) MEN1KMT2ATHRBBLMRECQL
SCHEMBL23117400 0.96 MEN1 (0.67) MEN1KMT2ATHRBBLMRECQL
SCHEMBL14929634 0.95 MEN1 (0.72) MEN1KMT2ATHRBBLMRECQL
SCHEMBL23135642 0.93 MEN1 (0.67) MEN1KMT2ATHRBBLMRECQL
SCHEMBL15591265 0.93 MEN1 (0.69) MEN1KMT2ATHRBBLMRECQL
SCHEMBL15583434 0.93 MEN1 (0.69) MEN1KMT2ATHRBBLMRECQL
SCHEMBL23135649 0.93 MEN1 (0.73) MEN1KMT2ATHRBBLMRECQL
SCHEMBL23136471 0.92 MEN1 (0.66) MEN1KMT2ATHRBBLMRECQL
SCHEMBL31680269 0.91 MEN1 (0.65) MEN1KMT2ATHRBBLMRECQL
SCHEMBL23117405 0.91 MEN1 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210085796-A1 ANTICANCER DRUGS AND METHODS OF MAKING AND USING SAME YALE UNIVERSITY 2021-03-25 — — 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-20210085796-A1 ANTICANCER DRUGS AND METHODS OF MAKING AND USING SAME MTHFD1, DHFR, ABCG2 MEN1 429/4885KMT2A 1980/4885THRB 4670/4885

“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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