SCHEMBL12155283

SCHEMBL12155283

CC(C)(C)OC(=O)/N=C(\NCCCCCC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ADRA1A P35348 1/20 0.44
PRMT1 Q99873 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
PLA2G2A P14555 1/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 7/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL20191171 1.00 TDP1 (0.47) TDP1MAOAMAOBADRA1APRMT1
SCHEMBL20122294 1.00 TDP1 (0.47) TDP1MAOAMAOBADRA1APRMT1
SCHEMBL18262806 0.99 TDP1 (0.44) TDP1MAOAMAOBADRA1APRMT1
SCHEMBL12514747 0.99 TDP1 (0.44) TDP1MAOAMAOBADRA1APRMT1
SCHEMBL1795152 0.99 TDP1 (0.44) TDP1MAOAMAOBADRA1APRMT1
SCHEMBL5490945 0.94 MEN1 (0.43) TDP1MAOAMAOBADRA1APRMT1
SCHEMBL2905985 0.94 MEN1 (0.43) TDP1MAOAMAOBADRA1APRMT1
SCHEMBL991815 0.92 TDP1 (0.54) TDP1MAOAMAOBMEN1GAA
SCHEMBL23796908 0.90 MAOA (0.52) TDP1MAOAMAOBMEN1GAA
SCHEMBL23796907 0.90 MAOA (0.52) TDP1MAOAMAOBMEN1GAA

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
WO-2015026601-A2 DITHIOL MUCOLYTIC AGENTS JOHNSON MICHAEL R (US) 2015-02-26 WO disclosed
US-8048996-B2 Molecular transporters based on sugar and its analogues and processes for the preparation thereof POSTECH FOUNDATION (KR) 2011-11-01 US disclosed
US-20100330608-A1 MOLECULAR TRANSPORTERS BASED ON SUGAR AND ITS ANALOGUES AND PROCESSES FOR THE PREPARATION THEREOF POSTECH FOUNDATION (KR) 2010-12-30 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-20100330608-A1 MOLECULAR TRANSPORTERS BASED ON SUGAR AND ITS ANALOGUES AND PROCESSES FOR THE PREPARATION THEREOF SLC2A1, SLC2A8, SLC2A2 TDP1 4468/4885MAOA 4440/4885MAOB 3850/4885

“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.