SCHEMBL2824947

SCHEMBL2824947

O=C(O)COc1cccc(-c2csc(N(CCCN3CCOCC3)C(=O)c3cccs3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
MAPK1 P28482 3/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
TSHR P16473 7/20 0.51
KDM4E B2RXH2 5/20 0.51
NPSR1 Q6W5P4 4/20 0.51
USP2 O75604 2/20 0.51
HSD17B10 Q99714 2/20 0.51
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
ALDH1A1 P00352 3/20 0.47
ROCK1 Q13464 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GSTO1 P78417 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CACNA2D1 P54289 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
SCHEMBL2826940 0.93 MAPT (0.51) MAPTMAPK1LMNASMN1; SMN2TSHR
SCHEMBL2830114 0.92 MAPT (0.60) MAPTMAPK1LMNASMN1; SMN2TSHR
SCHEMBL2830852 0.90 MAPT (0.62) MAPTMAPK1LMNASMN1; SMN2TSHR
SCHEMBL2829085 0.90 SMN1; SMN2 (0.56) MAPTMAPK1LMNASMN1; SMN2TSHR
SCHEMBL2826876 0.90 SMN1; SMN2 (0.58) MAPTMAPK1LMNASMN1; SMN2TSHR
SCHEMBL2831304 0.87 SMN1; SMN2 (0.56) MAPTMAPK1LMNASMN1; SMN2TSHR
SCHEMBL2826380 0.87 SMN1; SMN2 (0.67) MAPTMAPK1LMNASMN1; SMN2TSHR
SCHEMBL2829405 0.86 TSHR (0.61) MAPTMAPK1LMNASMN1; SMN2TSHR
SCHEMBL2829399 0.86 TSHR (0.61) MAPTMAPK1LMNASMN1; SMN2TSHR
SCHEMBL2830871 0.86 TSHR (0.55) MAPTMAPK1LMNASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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 MAPT 3561/4885MAPK1 3940/4885LMNA 4104/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK MAPT 3561/4885MAPK1 3940/4885LMNA 4104/4885

“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.