SCHEMBL2826880

SCHEMBL2826880

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 3/20 0.46
TSHR P16473 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
USP2 O75604 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
GLA P06280 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2C9 P11712 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
SCHEMBL2826926 0.89 TSHR (0.50) MAPK1MAPTLMNAGAATSHR
SCHEMBL2830962 0.88 POLB (0.50) MAPK1MAPTLMNAGAATSHR
SCHEMBL2830852 0.83 MAPT (0.62) MAPK1MAPTLMNATSHRSMN1; SMN2
SCHEMBL2830427 0.80 TSHR (0.50) MAPK1MAPTLMNAGAATSHR
SCHEMBL3262775 0.79 TSHR (0.49) MAPK1MAPTLMNAGAATSHR
SCHEMBL2830037 0.79 MAPT (0.74) MAPK1MAPTLMNATSHRSMN1; SMN2
SCHEMBL2830079 0.79 TSHR (0.63) MAPK1MAPTLMNATSHRSMN1; SMN2
SCHEMBL2826914 0.79 MAPT (0.59) MAPK1MAPTLMNAGAATSHR
SCHEMBL2827752 0.79 TSHR (0.50) MAPK1MAPTLMNAGAATSHR
SCHEMBL2827969 0.78 MAPT (0.46) MAPK1MAPTLMNAGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK1 3940/4885MAPT 3561/4885LMNA 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.