SCHEMBL17902866

SCHEMBL17902866

CC(C)(C)OC(=O)/N=C(/NCc1ccc(O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.47
CA2 P00918 5/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
MIF P14174 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
HDAC1 Q13547 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
NAMPT P43490 2/20 0.40
SDCBP O00560 1/20 0.39
SDC2 P34741 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8381277 1.00 CA1 (0.47) CA1CA2GAAL3MBTL1MIF
SCHEMBL18257735 1.00 CA1 (0.47) CA1CA2GAAL3MBTL1MIF
SCHEMBL19639418 0.90 GAA (0.41) CA1CA2GAAL3MBTL1MIF
SCHEMBL10177832 0.90 CA1 (0.47) CA1CA2GAAL3MBTL1NR1H4
SCHEMBL15125579 0.88 CA1 (0.47) CA1CA2GAAL3MBTL1CTSS
SCHEMBL6223818 0.88 CA1 (0.49) CA1CA2GAAL3MBTL1HDAC1
SCHEMBL21431059 0.88 CA1 (0.49) CA1CA2GAAL3MBTL1HDAC1
SCHEMBL6223820 0.88 CA1 (0.49) CA1CA2GAAL3MBTL1HDAC1
SCHEMBL17902822 0.88 CA1 (0.51) CA1CA2GAACTSSCTSK
SCHEMBL19651943 0.88 CA1 (0.51) CA1CA2GAACTSSCTSK

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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US disclosed
WO-2016186581-A1 ANTIMICROBIAL GUANIDINIUM AND THIOURONIUM FUNCTIONALIZED POLYMERS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-11-24 WO disclosed
WO-2016108045-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS SWANSEA UNIVERSITY (GB) 2016-07-07 WO 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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB CA1 3396/4885CA2 2724/4885GAA 426/4885

“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.