SCHEMBL3194094

SCHEMBL3194094

COc1oc(C(N)=O)c(-c2nccs2)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.42
ECE1 P42892 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MGAM O43451 3/20 0.40
GAA P10253 3/20 0.40
SI P14410 3/20 0.40
MGAM2 Q2M2H8 3/20 0.40
SMPD3 Q9NY59 1/20 0.39
CTSD P07339 1/20 0.38
HDAC2 Q92769 1/20 0.38
CTSA P10619 2/20 0.38
TSHR P16473 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
KAT6A Q92794 1/20 0.36
SLC6A9 P48067 1/20 0.36
MAT2A P31153 1/20 0.35
FFAR1 O14842 1/20 0.35
BCAT2 O15382 1/20 0.35

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
SCHEMBL3194068 0.81 PDPK1 (0.41) PDPK1ECE1PTGDR2MGAMGAA
SCHEMBL3201040 0.75 ECE1 (0.47) PDPK1ECE1PTGDR2SMPD3CTSD
SCHEMBL3202002 0.74 TSHR (0.44) PDPK1ECE1PTGDR2SMPD3CTSD
SCHEMBL3976143 0.71 PDE4A (0.41) GAATSHRKDM4EALDH1A1LMNA
SCHEMBL3194083 0.70 IKBKB (0.40) ECE1PTGDR2SMPD3CTSARAB9A
2-Phenylthiazole SCHEMBL28287735 0.70 PDPK1 (0.78) PDPK1PTGDR2MGAMGAASI
SCHEMBL3978064 0.69 PTGS1 (0.48) TSHRRAB9AKDM4EALDH1A1LMNA
2-Phenylthiazole SCHEMBL5968560 0.69 PDPK1 (0.68) PDPK1PTGDR2HDAC2TSHRRAB9A
SCHEMBL3201031 0.66 PARP1 (0.46) ECE1SMPD3CTSARAB9APOLB
SCHEMBL12503022 0.66 PDPK1 (0.43) PDPK1PTGDR2HDAC2MAT2ABCAT2

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 PDPK1 1646/4885ECE1 1647/4885PTGDR2 4184/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK PDPK1 1646/4885ECE1 1647/4885PTGDR2 4184/4885

“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.