SCHEMBL28536965

SCHEMBL28536965

CCC1(O)CC(NC(=S)NC(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
EPHX1 P07099 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
BTK Q06187 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPK1 P28482 1/20 0.34
CTSK P43235 2/20 0.33
ALDH1A1 P00352 2/20 0.32
HCRTR2 O43614 1/20 0.32
HSD11B1 P28845 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX2 P34913 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 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
SCHEMBL28545540 0.86 BTK (0.45) GAAEPHX1NFKB1NFKB2RELA
SCHEMBL28547494 0.84 GAA (0.49) GAAEPHX1NFKB1NFKB2RELA
SCHEMBL28534993 0.80 GAA (0.46) GAAEPHX1NFKB1NFKB2RELA
SCHEMBL23148795 0.79 ALDH1A1 (0.35) GAAEPHX1KMT2AMEN1ALDH1A1
SCHEMBL29637394 0.77 GAA (0.46) GAAEPHX1NFKB1NFKB2RELA
SCHEMBL28542561 0.76 GAA (0.45) GAAEPHX1NFKB1NFKB2RELA
SCHEMBL14000637 0.75 BTK (0.44) GAAEPHX1BTKKMT2AMEN1
SCHEMBL10270072 0.74 BTK (0.45) GAAEPHX1NFKB1NFKB2RELA
SCHEMBL21162036 0.74 BTK (0.45) GAAEPHX1NFKB1NFKB2RELA
SCHEMBL28547492 0.74 GAA (0.51) GAAEPHX1NFKB1NFKB2RELA

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-11479546-B2 Antimalarial hexahydropyrimidine analogues UCB Biopharma SRL 2022-10-25 US disclosed
EP-3774741-B1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2022-06-08 EP disclosed
CN-111936472-A Anti-malarial hexahydropyrimidine analogues UCB生物制药有限责任公司 2020-11-13 CN 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-11479546-B2 Antimalarial hexahydropyrimidine analogues G6PD, DPYD, DHODH GAA 3464/4885EPHX1 1283/4885NFKB1 3697/4885

“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.