SCHEMBL19508958

SCHEMBL19508958

CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)Nc1ccc(OC(=O)NC2COC(=O)OC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.37
KDM1A O60341 1/20 0.35
PSMB8 P28062 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TDP2 O95551 1/20 0.33
NAAA Q02083 1/20 0.33
NAMPT P43490 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
MAPT P10636 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
PRKDC P78527 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
SCHEMBL18256739 0.82 LIPE (0.34) LIPEKDM1APSMB8CA12CA1
SCHEMBL19508729 0.82 LIPE (0.34) LIPEKDM1APSMB8CA12CA1
SCHEMBL19499998 0.77 GAA (0.35) NFKB1NFKB2RELA
SCHEMBL10092627 0.77 CYP17A1 (0.48) PSMB8NAMPTNR1H4MAPKAPK2PRKDC
SCHEMBL14155353 0.77 CYP17A1 (0.48) PSMB8NAMPTNR1H4MAPKAPK2PRKDC
SCHEMBL25753389 0.76 EPHX1 (0.36) CA1CA2NFKB1NFKB2RELA
SCHEMBL19508957 0.75 EPHX1 (0.34) KDM1ANFKB1NFKB2RELA
SCHEMBL3777965 0.75 CYP17A1 (0.40) PSMB8NR1H4MAPT
SCHEMBL13062960 0.75 CYP17A1 (0.40) PSMB8NR1H4MAPT
SCHEMBL17902832 0.75 MIF (0.45) PSMB8CA12CA1CA2CA9

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 LIPE 4083/4885KDM1A 3803/4885PSMB8 2295/4885

“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.