SCHEMBL19508957

SCHEMBL19508957

CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)NC1CCC(OC(=O)NC2COC(=O)OC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.34
GAA P10253 2/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
BTK Q06187 1/20 0.32
CACNB4 O00305 1/20 0.31
CACNA1A O00555 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNG3 O60359 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNB3 P54284 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNG7 P62955 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNB1 Q02641 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
SCHEMBL19508730 0.84 GAA (0.31) GAANFKB1NFKB2RELA
SCHEMBL18256743 0.84 GAA (0.31) GAANFKB1NFKB2RELA
SCHEMBL19499998 0.80 GAA (0.35) EPHX1GAANFKB1NFKB2RELA
SCHEMBL25753389 0.78 EPHX1 (0.36) EPHX1GAANFKB1NFKB2RELA
SCHEMBL19508986 0.77 GAA (0.39) EPHX1GAAKDM1AMAOBNFKB1
SCHEMBL18256753 0.77 GAA (0.39) EPHX1GAAKDM1AMAOBNFKB1
SCHEMBL19508958 0.75 LIPE (0.37) KDM1ANFKB1NFKB2RELA
SCHEMBL15502088 0.74 GAA (0.54) EPHX1GAAKDM1AMAOBNFKB1
SCHEMBL22233303 0.74 EPHX1 (0.40) EPHX1GAAKDM1AMAOBNFKB1
SCHEMBL22233304 0.74 EPHX1 (0.40) EPHX1GAAKDM1AMAOBNFKB1

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-20170303541-A1 ANTIMICROBIAL GUANIDINIUM AND THIOURONIUM FUNCTIONALIZED POLYMERS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-10-26 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-20170303541-A1 ANTIMICROBIAL GUANIDINIUM AND THIOURONIUM FUNCTIONALIZED POLYMERS PUF60, CAPG, GMPS EPHX1 4849/4885GAA 966/4885KDM1A 3803/4885

“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.