SCHEMBL2830503

SCHEMBL2830503

NC(=S)NCCCCCN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.65
DUSP3 P51452 1/20 0.65
GAA P10253 3/20 0.58
LMNA P02545 3/20 0.53
KDM4E B2RXH2 1/20 0.53
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
KEAP1 Q14145 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.47
RECQL P46063 1/20 0.47
PAOX Q6QHF9 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 1/20 0.46
MMP13 P45452 1/20 0.45

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
SCHEMBL1640547 0.93 HPGD (0.74) HPGDDUSP3GAALMNAKDM4E
SCHEMBL1606290 0.86 CA12 (0.66) HPGDDUSP3GAALMNAKDM4E
SCHEMBL1462089 0.81 GAA (0.69) HPGDDUSP3GAALMNAKDM4E
SCHEMBL14583896 0.78 HPGD (0.81) HPGDDUSP3GAALMNAKDM4E
SCHEMBL4512998 0.77 HPGD (0.50) HPGDDUSP3GAAKDM4ECA12
SCHEMBL3229195 0.77 HPGD (0.81) HPGDDUSP3GAALMNAKDM4E
SCHEMBL5429820 0.77 HPGD (0.60) HPGDDUSP3GAALMNAKDM4E
Sulfuric Acid SCHEMBL11729680 0.76 GAA (0.57) HPGDDUSP3GAALMNAKDM4E
SCHEMBL11731256 0.76 GAA (0.57) HPGDDUSP3GAALMNAKDM4E
SCHEMBL16450869 0.76 HPGD (0.74) HPGDDUSP3GAALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2620150-A2 2-Amido Thiazole Based Inhibitors of ATP-Utilizing Enyzmes Genentech, Inc. (US) 2013-07-31 EP disclosed
US-7795290-B2 2-amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2010-09-14 US disclosed
EP-2168578-A2 2-Amido-Thiazole-Based Compounds Exhibiting ATP-Utilizing Enzyme Inhibitory Activity, and Compositions, and Uses Thereof Genentech, Inc. (US) 2010-03-31 EP disclosed
US-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. (US) 2009-02-19 US disclosed
US-7410988-B2 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2008-08-12 US disclosed
EP-1781287-A4 THIAZOLE BASED INHIBITORS OF ATP-UTILIZING ENYZMES GENENTECH INC (US) 2008-02-27 EP disclosed
EP-1781287-A2 THIAZOLE BASED INHIBITORS OF ATP-UTILIZING ENYZMES Genentech, Inc. (US) 2007-05-09 EP disclosed
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof SQUARE 1 BANK 2006-03-09 US disclosed
WO-2006020767-A2 THIAZOLE BASED INHIBITORS OF ATP-UTILIZING ENZYMES GENENTECH, INC. (US) 2006-02-23 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-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF ATP5ME, ATP5MG, ATP5MK HPGD 743/4885DUSP3 3846/4885GAA 59/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK HPGD 743/4885DUSP3 3846/4885GAA 59/4885

“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.