SCHEMBL6517345

SCHEMBL6517345

CC(CCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
GAA P10253 1/20 0.66
KMT2A Q03164 1/20 0.66
TDP1 Q9NUW8 1/20 0.56
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CA1 P00915 8/20 0.47
CA2 P00918 8/20 0.47
CA12 O43570 6/20 0.47
CA9 Q16790 6/20 0.47
CA7 P43166 1/20 0.46
CAPN1 P07384 1/20 0.45
CTSK P43235 4/20 0.44
CTSS P25774 3/20 0.43
STK17B O94768 1/20 0.42
STK17A Q9UEE5 1/20 0.42
CYP2D6 P10635 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41

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
SCHEMBL902132 1.00 MEN1 (0.66) MEN1GAAKMT2ATDP1MAOA
SCHEMBL10140672 0.95 MEN1 (0.59) MEN1GAAKMT2ATDP1MAOA
SCHEMBL902008 0.95 MEN1 (0.59) MEN1GAAKMT2ATDP1MAOA
SCHEMBL6837317 0.94 TDP1 (0.61) MEN1GAAKMT2ATDP1MAOA
SCHEMBL13055386 0.90 MEN1 (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL26496672 0.85 MEN1 (0.47) MEN1GAAKMT2ATDP1MAOA
SCHEMBL14405152 0.84 MEN1 (0.72) MEN1GAAKMT2ATDP1MAOA
SCHEMBL30299126 0.84 TDP1 (0.50) MEN1GAAKMT2ATDP1MAOA
SCHEMBL19301000 0.84 MEN1 (0.62) MEN1GAAKMT2ATDP1MAOA
SCHEMBL24687980 0.83 TDP1 (0.50) MEN1GAAKMT2ATDP1CA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017147335-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-31 WO disclosed
US-20050131230-A1 Method and associated compounds for forming nanotubes NATIONAL SCIENCE FOUNDATION 2005-06-16 US disclosed
US-6696565-B2 SELF-ASSEMBLING; PHYSICAL PROPERTIES; THERMOCONDUCTIVITY PURDUE RESEARCH FOUNDATION 2004-02-24 US disclosed
US-20020151556-A1 Method and associated compounds for forming nanotubes PURDUE RESEARCH FOUNDATION 2002-10-17 US disclosed
WO-2002066482-A1 METHOD AND ASSOCIATED COMPOUNDS FOR FORMING NANOTUBES PURDUE RESEARCH FOUNDATION (US) 2002-08-29 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 (2 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-20050131230-A1 Method and associated compounds for forming nanotubes TUBB6, TUBB4A, TUBB4B MEN1 2302/4885GAA 2442/4885KMT2A 3183/4885
US-20020151556-A1 Method and associated compounds for forming nanotubes TUBB6, TUBB4A, TUBB4B MEN1 2302/4885GAA 2442/4885KMT2A 3183/4885

“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.