SCHEMBL2827593

SCHEMBL2827593

COc1ccccc1-c1csc(N(CCCN2CCOCC2)C(=O)c2cccs2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
MAPK1 P28482 3/20 0.56
LMNA P02545 2/20 0.56
TSHR P16473 9/20 0.52
KDM4E B2RXH2 8/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
NPSR1 Q6W5P4 3/20 0.52
USP2 O75604 2/20 0.52
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 4/20 0.50
HPGD P15428 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
GSTO1 P78417 1/20 0.43

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
SCHEMBL2826914 0.91 MAPT (0.59) MAPTMAPK1LMNATSHRKDM4E
SCHEMBL2830079 0.91 TSHR (0.63) MAPTMAPK1LMNATSHRKDM4E
SCHEMBL2828589 0.87 TSHR (0.56) MAPTMAPK1LMNATSHRKDM4E
SCHEMBL2832441 0.87 TSHR (0.56) MAPTMAPK1LMNATSHRKDM4E
SCHEMBL2830237 0.87 MAPT (0.60) MAPTMAPK1LMNATSHRKDM4E
SCHEMBL2830282 0.87 TSHR (0.53) MAPTMAPK1LMNATSHRKDM4E
SCHEMBL2826724 0.86 MAPT (0.54) MAPTMAPK1LMNATSHRKDM4E
SCHEMBL2825412 0.86 MAPT (0.52) MAPTMAPK1LMNATSHRKDM4E
SCHEMBL2830037 0.86 MAPT (0.74) MAPTMAPK1LMNATSHRKDM4E
SCHEMBL2826380 0.85 SMN1; SMN2 (0.67) MAPTMAPK1LMNATSHRKDM4E

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
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-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 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.