SCHEMBL2831341

SCHEMBL2831341

COc1ccc(-c2csc(N(CCCN3CCOCC3)C(=O)c3ccc(C)cc3)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.73
LMNA P02545 2/20 0.73
MAPT P10636 2/20 0.73
KMT2A Q03164 13/20 0.69
NPC1 O15118 1/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
TSHR P16473 3/20 0.69
USP2 O75604 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
RAD52 P43351 3/20 0.62
MEN1 O00255 9/20 0.61
ALDH1A1 P00352 1/20 0.61
KDM4E B2RXH2 2/20 0.57
HSD17B10 Q99714 1/20 0.57
POLB P06746 2/20 0.57
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL2829872 0.92 MAPK1 (0.72) MAPK1LMNAMAPTKMT2ANPC1
SCHEMBL2827229 0.92 MAPK1 (0.72) MAPK1LMNAMAPTKMT2ANPC1
SCHEMBL2826989 0.92 MAPK1 (0.77) MAPK1LMNAMAPTKMT2ANPC1
SCHEMBL2825054 0.90 MAPK1 (0.71) MAPK1LMNAMAPTKMT2ANPC1
SCHEMBL2830254 0.90 SMN1; SMN2 (0.73) MAPK1LMNAMAPTKMT2ANPC1
SCHEMBL2829082 0.88 MAPK1 (0.73) MAPK1LMNAMAPTKMT2ANPC1
SCHEMBL2826942 0.88 MAPK1 (0.74) MAPK1LMNAMAPTKMT2ANPC1
SCHEMBL2830243 0.87 MAPK1 (0.71) MAPK1LMNAMAPTKMT2ANPC1
SCHEMBL2825125 0.87 MAPK1 (0.76) MAPK1LMNAMAPTKMT2ANPC1
SCHEMBL2831455 0.86 MAPK1 (0.70) MAPK1LMNAMAPTKMT2ANPC1

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 MAPK1 3940/4885LMNA 4104/4885MAPT 3561/4885

“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.