SCHEMBL3201040

SCHEMBL3201040

COc1ccc(C(N)=O)c(-c2nccs2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDPK1 O15530 1/20 0.43
CTSA P10619 4/20 0.43
SMPD3 Q9NY59 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A9 P48067 1/20 0.41

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
SCHEMBL3202002 0.86 TSHR (0.44) ECE1PTGDR2SMN1; SMN2KDM4EMEN1
SCHEMBL23361670 0.82 FABP3 (0.51) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL3201031 0.79 PARP1 (0.46) ECE1KDM4ECTSASMPD3RAB9A
SCHEMBL12503022 0.79 PDPK1 (0.43) PTGDR2PDPK1FABP4SCN9A
SCHEMBL3201006 0.77 PARP1 (0.47) ECE1KDM4ECTSASMPD3RAB9A
SCHEMBL3194094 0.75 PDPK1 (0.42) ECE1PTGDR2KDM4ELMNAHPGD
SCHEMBL28932394 0.75 MKNK1 (0.51) KDM4EMEN1KMT2AMKNK1MKNK2
SCHEMBL30810276 0.74 PARP1 (0.45) SMN1; SMN2KDM4EMEN1MAPTKMT2A
SCHEMBL3201989 0.74 CTSA (0.45) ECE1KDM4EMEN1LMNAMAPT
SCHEMBL529977 0.74 FABP4 (0.46) SMN1; SMN2KDM4EMEN1LMNAMAPT

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 4 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 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 ECE1 1647/4885PTGDR2 4184/4885SMN1; SMN2 4020/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK ECE1 1647/4885PTGDR2 4184/4885SMN1; SMN2 4020/4885

“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.