SCHEMBL2828735

SCHEMBL2828735

CCCCN(C(=O)CCC(=O)O)c1nc(-c2cc(OC)ccc2OC)cs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.66
TSHR P16473 4/20 0.64
MAPK1 P28482 2/20 0.64
ATM Q13315 1/20 0.64
MAPT P10636 6/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 3/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 4/20 0.51
APEX1 P27695 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TRPA1 O75762 1/20 0.47
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 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
SCHEMBL2825275 0.86 MAPT (0.63) L3MBTL1TSHRMAPK1ATMMAPT
SCHEMBL2830146 0.85 MAPT (0.67) L3MBTL1TSHRMAPK1ATMMAPT
SCHEMBL2825429 0.81 TSHR (0.82) L3MBTL1TSHRMAPK1ATMMAPT
SCHEMBL2831448 0.79 TSHR (0.80) L3MBTL1TSHRMAPK1ATMMAPT
SCHEMBL2829137 0.77 TSHR (0.77) L3MBTL1TSHRMAPK1ATMMAPT
SCHEMBL2830954 0.77 TSHR (0.63) L3MBTL1TSHRMAPK1ATMMAPT
SCHEMBL2827862 0.77 TRPA1 (0.78) L3MBTL1TSHRMAPTSMN1; SMN2KDM4E
SCHEMBL2833381 0.76 MAPT (0.77) L3MBTL1MAPTKDM4EALDH1A1NPSR1
SCHEMBL2827391 0.74 RAB9A (0.79) L3MBTL1TSHRMAPTSMN1; SMN2KDM4E
SCHEMBL2832214 0.74 KMT2A (0.71) L3MBTL1MAPTSMN1; SMN2KDM4EHSD17B10

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 6 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
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

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 L3MBTL1 3981/4885TSHR 2723/4885MAPK1 3940/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK L3MBTL1 3981/4885TSHR 2723/4885MAPK1 3940/4885

“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.