SCHEMBL21669702

SCHEMBL21669702

CC(C)(C)OC(=O)N1CCc2scc(CO)c2C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.46
ESR2 Q92731 1/20 0.43
NR1H2 P55055 2/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
P2RX3 P56373 5/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
PRKCI P41743 1/20 0.38
MAPK1 P28482 1/20 0.38
MKNK1 Q9BUB5 2/20 0.37

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
SCHEMBL6421704 0.83 ADORA1 (0.48) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL17377231 0.83 ADORA1 (0.48) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL21669695 0.81 ADORA1 (0.39) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL29978414 0.80 ADORA1 (0.46) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL28898349 0.80 HPGD (0.36)
SCHEMBL18501717 0.79 ADORA1 (0.53) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL17798700 0.79 EED (0.49) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL21669697 0.79 ADORA1 (0.56) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL29977848 0.76 ADORA1 (0.45) ADORA1ESR2NR1H2MAPTKDM4E
SCHEMBL25363832 0.75 ADORA1 (0.54) ADORA1ESR2NR1H2MAPTKDM4E

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
EP-3830087-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2023-05-24 EP disclosed
US-11530227-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections MUTABILIS (FR) 2022-12-20 US disclosed
US-20210277019-A1 Heterocyclic Compounds And Their Use in Preventing or Treating Bacterial Infections MUTABILIS (FR) 2021-09-09 US disclosed
WO-2020025587-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2020-02-06 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-20210277019-A1 Heterocyclic Compounds And Their Use in Preventing or Treating Bacterial Infections NQO1, ALPI, LCT ADORA1 3150/4885ESR2 1860/4885NR1H2 684/4885
US-11530227-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections NQO1, ALPI, LCT ADORA1 3150/4885ESR2 1860/4885NR1H2 684/4885

“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.