SCHEMBL21724453

SCHEMBL21724453

C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CTSK P43235 8/20 0.48
▸ CTSS P25774 6/20 0.48
▸ CAPN1 P07384 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ NPY4R P50391 3/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ NPY5R Q15761 3/20 0.39
▸ NPY1R P25929 2/20 0.39
▸ CXCR3 P49682 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 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
SCHEMBL21724458 1.00 MEN1 (0.51) MEN1GAAKMT2ACTSKCTSS
SCHEMBL31163982 0.94 MEN1 (0.45) MEN1GAAKMT2ACTSKCTSS
SCHEMBL30910784 0.91 CTSK (0.46) MEN1GAAKMT2ACTSKCTSS
SCHEMBL29734569 0.91 CTSK (0.50) MEN1GAAKMT2ACTSKCTSS
SCHEMBL25696029 0.91 CTSK (0.50) MEN1GAAKMT2ACTSKCTSS
SCHEMBL23728734 0.91 CTSK (0.50) MEN1GAAKMT2ACTSKCTSS
SCHEMBL23728735 0.91 CTSK (0.50) MEN1GAAKMT2ACTSKCTSS
SCHEMBL9980623 0.90 MEN1 (0.62) MEN1GAAKMT2ACTSKCTSS
SCHEMBL29576893 0.89 CTSK (0.46) MEN1GAAKMT2ACTSKCTSS
SCHEMBL1486276 0.88 MEN1 (0.55) MEN1GAAKMT2ACTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11998610-B2 Conjugates and methods of using the same FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2024-06-04 — — US disclosed
EP-3836971-A1 CONJUGATES AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2021-06-23 — — EP disclosed
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-06-03 — — US disclosed
WO-2020037009-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-02-20 — — WO 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-11998610-B2 Conjugates and methods of using the same CD47, CD44, CD74 MEN1 2346/4885GAA 197/4885KMT2A 3520/4885
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME CD47, CD44, CD74 MEN1 2346/4885GAA 197/4885KMT2A 3520/4885

“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.

Send feedback