SCHEMBL7019733

SCHEMBL7019733

COS(=O)(=O)CCCNC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
PAOX Q6QHF9 3/20 0.44
ADRA1A P35348 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MTNR1A P48039 5/20 0.37
MTNR1B P49286 5/20 0.37
TXNRD1 Q16881 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4404975 0.82 KDM4E (0.50) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL23328734 0.79 EPHX1 (0.55) TSHRALDH1A1
SCHEMBL8517020 0.78 ZDHHC20 (0.51) MAPK1TSHRALDH1A1
SCHEMBL23082615 0.77 MGAM (0.31) PAOX
Acamprosate SCHEMBL41983 0.77 KDM4E (0.65) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL8067563 0.77 KDM4E (0.58) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL23329079 0.76 MEN1 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL3953122 0.76 KDM4E (0.39) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL3957757 0.75 KDM4E (0.42) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL4051468 0.75 KDM4E (0.42) KDM4EMAPK1HIF1APAOXADRA1A

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
EP-1051393-B1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS MERCK SANTE SAS (FR) 2003-10-01 EP claimed
US-20230115413-A1 Use of Thiol Compounds to Treat Neurological Disease ZANKEL, TODD C, MR 2023-04-13 US disclosed
US-20190029977-A1 Use of Thiol Compounds to Treat Neurological Disease ZANKEL, TODD C, MR 2019-01-31 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 (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-20190029977-A1 Use of Thiol Compounds to Treat Neurological Disease TST, NLN, SLC7A11 KDM4E 4390/4885MAPK1 3882/4885HIF1A 3760/4885
US-20230115413-A1 Use of Thiol Compounds to Treat Neurological Disease TST, NLN, SLC7A11 KDM4E 4390/4885MAPK1 3882/4885HIF1A 3760/4885

“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.