SCHEMBL21217014

SCHEMBL21217014

CCCNS(=O)(=O)C1COC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.44
PPARA Q07869 3/20 0.36
CA2 P00918 3/20 0.32
CA12 O43570 2/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA9 Q16790 1/20 0.32
BRD4 O60885 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL668941 0.80 CA1 (0.50) CA1PPARACA2CA12CA7
SCHEMBL23564123 0.79 ALDH1A1 (0.39)
SCHEMBL1704325 0.77 CA1 (0.46) CA1PPARACA2CA12CA7
SCHEMBL1703764 0.75 CA1 (0.44) CA1PPARABRD4PSEN1PSEN2
SCHEMBL21210695 0.73 ALDH1A1 (0.36) CA12CA7CA14CA9
SCHEMBL19115952 0.73 CNR2 (0.30)
SCHEMBL12102205 0.72 GABRA1 (0.47) CA1PPARAPSEN1PSEN2APH1B
SCHEMBL29764410 0.71 CA1 (0.40) CA1PPARABRD4PSEN1PSEN2
SCHEMBL18214760 0.70
SCHEMBL22331574 0.69 CA1 (0.39) CA1PPARA

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-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-02-11 US disclosed
US-10793563-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2020-10-06 US disclosed
US-20190233411-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 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 (3 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-20190233411-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR CA1 4106/4885PPARA 3845/4885CA2 1674/4885
US-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR CA1 4106/4885PPARA 3845/4885CA2 1674/4885
US-10793563-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, GCGR CA1 4106/4885PPARA 3845/4885CA2 1674/4885

“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.