SCHEMBL21638837

SCHEMBL21638837

CC(C)(C)OC(=O)N1Cc2nc(COC3CCCCO3)sc2C(O)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
GLS O94925 4/20 0.33
GPR119 Q8TDV5 2/20 0.32
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE7A Q13946 1/20 0.31
RECQL P46063 1/20 0.30
EPHX1 P07099 1/20 0.30
GCK P35557 1/20 0.30
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21677175 0.89 GLS (0.32) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL21677174 0.87 GLS (0.33) MEN1KMT2AGLSGPR119DDB1
SCHEMBL21664519 0.87 GLS (0.31) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL21638846 0.83 GLS (0.31) GLS
SCHEMBL21638845 0.78 EP300 (0.31) MEN1KMT2AICAM1SELE
SCHEMBL20110367 0.73 MAPT (0.37) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL21638847 0.71 NR1H2 (0.37) ALDH1A1MAPTGLSGPR119DDB1
SCHEMBL21677173 0.68 NR1H2 (0.37) MEN1KMT2AGLSGPR119DDB1
SCHEMBL21638843 0.68 NR1H2 (0.35) GLSUSP2SMN1; SMN2
SCHEMBL23860091 0.67 NR1H2 (0.42) MEN1ALDH1A1MAPTKMT2APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11865118-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections MUTABILIS (FR) 2024-01-09 US disclosed
US-20210275542-A1 Heterocyclic Compounds And Their Use in Preventing or Treating Bacterial Infections MUTABILIS (FR) 2021-09-09 US disclosed
US-20210275542-A1 Heterocyclic Compounds And Their Use in Preventing or Treating Bacterial Infections MUTABILIS (FR) 2021-09-09 US disclosed
WO-2020025543-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2020-02-06 WO disclosed
EP-3604315-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS Mutabilis (FR) 2020-02-05 EP disclosed
EP-3604315-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS Mutabilis (FR) 2020-02-05 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 (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-11865118-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections NQO1, ALPI, LCT MEN1 1241/4885ALDH1A1 224/4885MAPT 4142/4885
US-20210275542-A1 Heterocyclic Compounds And Their Use in Preventing or Treating Bacterial Infections NQO1, ALPI, LCT MEN1 1241/4885ALDH1A1 224/4885MAPT 4142/4885

“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.