SCHEMBL20535745

SCHEMBL20535745

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(CP(=O)(O)O)cs1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
GSTO1 P78417 1/20 0.33
LMNA P02545 1/20 0.32
ENPP2 Q13822 2/20 0.31
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL18758337 0.85 MEN1 (0.39) MEN1KMT2AGSTO1LMNA
SCHEMBL20387999 0.83 MEN1 (0.40) MEN1KMT2AGSTO1LMNAUSP30
SCHEMBL23701914 0.80 BCHE (0.33) PGK1PGK2
SCHEMBL20388000 0.78 MEN1 (0.36) MEN1KMT2AGSTO1LMNAUSP30
SCHEMBL20536551 0.78 HDAC1 (0.31) PGK1PGK2
SCHEMBL17674555 0.77 MEN1 (0.37) MEN1KMT2AGSTO1LMNAUSP30
SCHEMBL17674557 0.77 MEN1 (0.35) MEN1KMT2AGSTO1LMNAUSP30
SCHEMBL30609844 0.76 KDM4E (0.37) MEN1KMT2AGSTO1LMNAUSP30
SCHEMBL18758339 0.75 MEN1 (0.39) MEN1KMT2AGSTO1LMNA
SCHEMBL12824139 0.74 SIRT1 (0.47) KMT2ALMNAENPP2

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-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES WILLIAM MARSH RICE UNIVERSITY (US) 2021-08-05 US disclosed
EP-3609538-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES William Marsh Rice University (US) 2020-02-19 EP disclosed
WO-2018191394-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES WILLIAM MARSH RICE UNIVERSITY (US) 2018-10-18 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 (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-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES EPOR, EZR, CD47 MEN1 2437/4885KMT2A 2781/4885PGK1 4481/4885

“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.