SCHEMBL25753389

SCHEMBL25753389

CC(C)(C)OC(=O)/N=C(\NCCC(=O)NC1COC(=O)OC1)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
GAA P10253 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MAN2B1 O00754 1/20 0.32
KDM4E B2RXH2 3/20 0.31
SUV39H2 Q9H5I1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL19499998 0.85 GAA (0.35) EPHX1GAANFKB1NFKB2RELA
SCHEMBL19508957 0.78 EPHX1 (0.34) EPHX1GAANFKB1NFKB2RELA
SCHEMBL19508958 0.76 LIPE (0.37) NFKB1NFKB2RELACA1CA2
SCHEMBL15502088 0.74 GAA (0.54) EPHX1GAANFKB1NFKB2RELA
SCHEMBL16322976 0.74 MEN1 (0.39) EPHX1GAACA1CA2TDP1
SCHEMBL17234179 0.74 MEN1 (0.39) EPHX1GAACA1CA2TDP1
SCHEMBL1793511 0.74 MEN1 (0.39) EPHX1GAACA1CA2TDP1
SCHEMBL30636899 0.72 CA2 (0.37) EPHX1GAACA1CA2KDM4E
SCHEMBL12629708 0.72 IDO1 (0.32) CA1CA2PDE3BPDE3A
SCHEMBL18257736 0.72 IDO1 (0.32) CA1CA2PDE3BPDE3A

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-11690380-B2 Antimicrobial guanidinium and thiouronium functionalized polymers CORAL BAY II, LLC (US) 2023-07-04 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-11690380-B2 Antimicrobial guanidinium and thiouronium functionalized polymers PUF60, CAPG, GMPS EPHX1 4849/4885GAA 966/4885NFKB1 3926/4885

“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.