Sugi Predict

Sugi Predict / Compounds / SCHEMBL463478

SCHEMBL463478

SCHEMBL463478

CNC(=O)c1ccc(C(C)SC)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 7/20 0.58
▸ HDAC8 Q9BY41 3/20 0.53
▸ HDAC6 Q9UBN7 3/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HPGD P15428 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CA2 P00918 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ MMP13 P45452 1/20 0.44
▸ KIF11 P52732 1/20 0.42
▸ ANPEP P15144 1/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL14015459 0.87 PLK1 (0.53) PLK1HDAC8HDAC6HDAC2HPGD
SCHEMBL16501829 0.82 PLK1 (0.47) PLK1HDAC8HDAC6HDAC2HPGD
SCHEMBL105171 0.82 HDAC6 (0.59) PLK1HDAC8HDAC6HDAC2HPGD
SCHEMBL2422473 0.80 HDAC8 (0.57) PLK1HDAC8HDAC6HDAC2HPGD
SCHEMBL734544 0.80 HPGD (0.48) HPGDSMN1; SMN2
SCHEMBL250247 0.78 HDAC6 (0.80) PLK1HDAC8HDAC6HDAC2HPGD
SCHEMBL8247872 0.78 ROCK2 (0.58) PLK1HDAC8HDAC6HDAC2HPGD
SCHEMBL12052085 0.78 ROCK2 (0.58) PLK1HDAC8HDAC6HDAC2HPGD
SCHEMBL8255268 0.78 ROCK2 (0.58) PLK1HDAC8HDAC6HDAC2HPGD
SCHEMBL19391346 0.77 HDAC2 (0.53) PLK1HDAC8HDAC6HDAC2HPGD

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948185-B1 VECTORISED MAGNETIC EMULSION GUERBET SA (FR) 2018-03-07 — — EP disclosed
EP-2654802-B1 CHELATE NANOEMULSION FOR MRI GUERBET SA (FR) 2017-12-06 — — EP disclosed
US-9770520-B2 Chelate nanoemulsion for MRI GUERBET (FR) 2017-09-26 — — US disclosed
US-20150320889-A1 Vectorised Magnetic Emulsion GUERBET (FR) 2015-11-12 — — US disclosed
US-8986650-B2 Complex folate-NOTA-Ga68 GUERBET (FR) 2015-03-24 — — US disclosed
US-20140234223-A1 NANOEMULSIONS AND USE THEREOF AS CONTRAST AGENTS GUERBET (FR) 2014-08-21 — — US disclosed
WO-2014114724-A1 VECTORISED MAGNETIC EMULSION GUERBET (FR) 2014-07-31 — — WO disclosed
US-8722018-B2 Method for preparing nanoparticles covered with a gem-bisphosphonate stabilizing layer coupled to hydrophilic distribution ligands GUERBET (FR) 2014-05-13 — — US disclosed
US-8722018-B2 Method for preparing nanoparticles covered with a gem-bisphosphonate stabilizing layer coupled to hydrophilic distribution ligands GUERBET (FR) 2014-05-13 — — US disclosed
WO-2013045333-A1 NANOEMULSIONS AND USE THEREOF AS CONTRAST AGENTS GUERBET (FR) 2013-04-04 — — WO disclosed
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 GUERBET (FR) 2012-03-15 — — US disclosed
US-20100297025-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET. 2010-11-25 — — US disclosed
US-20100297025-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET. 2010-11-25 — — US disclosed
US-20100215586-A1 NOVEL METHOD FOR PREPARING NANOPARTICLES COVERED WITH A GEM-BISPHOSPHONATE STABILIZING LAYER COUPLED TO HYDROPHILIC BIODISTRIBUTION LIGANDS GUERBET (FR) 2010-08-26 — — US disclosed
US-20100215586-A1 NOVEL METHOD FOR PREPARING NANOPARTICLES COVERED WITH A GEM-BISPHOSPHONATE STABILIZING LAYER COUPLED TO HYDROPHILIC BIODISTRIBUTION LIGANDS GUERBET (FR) 2010-08-26 — — US disclosed
US-7780953-B2 Compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET (FR) 2010-08-24 — — US disclosed
US-7780953-B2 Compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET (FR) 2010-08-24 — — US disclosed
WO-2009053597-A2 NOVEL METHOD FOR PREPARING NANOPARTICLES COVERED WITH AN ORGANIC STABILISING LAYER COUPLED TO TARGETING LIGANDS GUERBET (FR) 2009-04-30 — — WO disclosed
WO-2009053596-A2 NOVEL METHOD FOR PREPARING NANOPARTICLES COVERED WITH A GEM-BISPHOSPHONATE STABILISING LAYER COUPLED TO HYDROPHILIC BIODISTRIBUTION LIGANDS GUERBET (FR) 2009-04-30 — — WO disclosed
EP-1572246-B1 NOVEL COMPOSITIONS OF MAGNETIC PARTICLES COVERED WITH GEM-BISPHOSPHONATE DERIVATIVES GUERBET SA (FR) 2009-02-25 — — EP 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 (5 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-20100297025-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives PHOSPHO1, SGMS2, PTEN PLK1 1515/4885HDAC8 4247/4885HDAC6 4354/4885
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 FOLR1, FOLR2, DHFR PLK1 2116/4885HDAC8 241/4885HDAC6 2215/4885
US-20140234223-A1 NANOEMULSIONS AND USE THEREOF AS CONTRAST AGENTS PHOSPHO1, SGMS1, FABP7 PLK1 425/4885HDAC8 4738/4885HDAC6 4066/4885
US-20100215586-A1 NOVEL METHOD FOR PREPARING NANOPARTICLES COVERED WITH A GEM-BISPHOSPHONATE STABILIZING LAYER COUPLED TO HYDROPHILIC BIODISTRIBUTION LIGANDS GMNN, PHOSPHO1, GEMIN4 PLK1 603/4885HDAC8 4302/4885HDAC6 4262/4885
US-20150320889-A1 Vectorised Magnetic Emulsion SGMS2, TFRC, SGMS1 PLK1 1180/4885HDAC8 2624/4885HDAC6 3815/4885

“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.