SCHEMBL2830452

SCHEMBL2830452

CC(C)(C)OC(=O)NC1CCN(C(=O)CCCN(C(=O)c2cccs2)c2nc(-c3cc4ccccc4o3)cs2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
TSHR P16473 5/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ADORA2A P29274 5/20 0.36
ADORA2B P29275 4/20 0.36
ADORA3 P0DMS8 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PARP1 P09874 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2826927 0.91 SMN1; SMN2 (0.46) SMN1; SMN2TSHROPRM1OPRD1HDAC3
SCHEMBL2829594 0.90 SMN1; SMN2 (0.42) SMN1; SMN2TSHROPRM1OPRD1HDAC3
SCHEMBL2830213 0.87 SMN1; SMN2 (0.44) SMN1; SMN2TSHROPRM1OPRD1HDAC3
SCHEMBL2826844 0.86 SMN1; SMN2 (0.46) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2830235 0.84 SMN1; SMN2 (0.47) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL14237307 0.84 SMN1; SMN2 (0.46) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2831404 0.83 SMN1; SMN2 (0.47) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2830432 0.82 SMN1; SMN2 (0.47) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2826835 0.82 SMN1; SMN2 (0.55) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2826847 0.82 SMN1; SMN2 (0.45) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168578-B1 Thiazole based inhibitors of ATP-utilizing enzymes GENENTECH INC (US) 2012-12-19 EP claimed
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
EP-2168578-B1 Thiazole based inhibitors of ATP-utilizing enzymes GENENTECH INC (US) 2012-12-19 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 SMN1; SMN2 4020/4885TSHR 2723/4885OPRM1 4348/4885

“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.