SCHEMBL23573233

SCHEMBL23573233

CCCS(=O)(=O)NC1CCC(OC(N)=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
HCRTR2 O43614 1/20 0.37
EPHX1 P07099 1/20 0.35
JAK1 P23458 3/20 0.34
JAK2 O60674 2/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
SMYD3 Q9H7B4 4/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL1679032 0.80 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23573175 0.79 PGR (0.37) HCRTR2EPHX1JAK1JAK2POLB
SCHEMBL29652939 0.75 SMYD3 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24286326 0.73 ALDH1A1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8391325 0.73 CA1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4064938 0.72 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23573249 0.72 SMYD3 (0.40) EPHX1SMYD3ATM
SCHEMBL8237882 0.71 CA1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28718116 0.71 ATM (0.41) EPHX1ATM
SCHEMBL28654789 0.71 ATM (0.41) EPHX1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 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 (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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 PSEN1 1494/4885PSEN2 1273/4885APH1B 1470/4885

“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.