SCHEMBL2828558

SCHEMBL2828558

O=C(c1cccs1)N(CCCN1CCOCC1)c1nc(-c2cc3ccccc3o2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
KDM4E B2RXH2 5/20 0.51
MAPT P10636 4/20 0.51
MAPK1 P28482 3/20 0.51
HSD17B10 Q99714 3/20 0.51
USP2 O75604 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 4/20 0.49
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MMP13 P45452 1/20 0.42

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
SCHEMBL2825281 0.97 SMN1; SMN2 (0.49) TSHRSMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL2828500 0.97 SMN1; SMN2 (0.48) TSHRSMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL2828607 0.94 SMN1; SMN2 (0.46) TSHRSMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL2827065 0.93 SMN1; SMN2 (0.45) TSHRSMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL2827432 0.92 SMN1; SMN2 (0.50) TSHRSMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL2830500 0.92 SMN1; SMN2 (0.52) TSHRSMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL2830834 0.92 SMN1; SMN2 (0.49) TSHRSMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL2826849 0.90 SMN1; SMN2 (0.48) TSHRSMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL2828577 0.90 SMN1; SMN2 (0.48) TSHRSMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL2828564 0.90 SMN1; SMN2 (0.56) TSHRSMN1; SMN2KDM4EMAPTMAPK1

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 12 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
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 TSHR 2723/4885SMN1; SMN2 4020/4885KDM4E 3385/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK TSHR 2723/4885SMN1; SMN2 4020/4885KDM4E 3385/4885

“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.