Sugi Predict

Sugi Predict / Compounds / SCHEMBL3194083

SCHEMBL3194083

SCHEMBL3194083

COc1ccccc1-c1coc(C(N)=O)c1-c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.40
▸ ECE1 P42892 1/20 0.40
▸ CTSA P10619 1/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ HASPIN Q8TF76 1/20 0.37
▸ CDK19 Q9BWU1 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ SMPD3 Q9NY59 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ USP2 O75604 1/20 0.37

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
SCHEMBL3201031 0.81 PARP1 (0.46) IKBKBECE1CTSARAB9ANPC1
SCHEMBL3201006 0.77 PARP1 (0.47) IKBKBECE1CTSARAB9ANPC1
SCHEMBL5396495 0.73 ADRA1D (0.52) ECE1CTSARAB9ANPC1SMPD3
SCHEMBL29715238 0.73 ADRA1D (0.52) ECE1CTSARAB9ANPC1SMPD3
SCHEMBL3201989 0.72 CTSA (0.45) ECE1CTSARAB9ANPC1MAPK8
SCHEMBL3194094 0.70 PDPK1 (0.42) ECE1CTSARAB9ANPC1PTGDR2
SCHEMBL3201976 0.70 CTSA (0.45) ECE1CTSARAB9ANPC1MAPK8
SCHEMBL3201040 0.69 ECE1 (0.47) ECE1CTSARAB9ANPC1MAPK8
SCHEMBL28012573 0.69 BCAT2 (0.57) IKBKBMAPK8KDM4EALDH1A1HPGD
SCHEMBL6638011 0.69 IKBKB (0.48) IKBKBRAB9AKDM4EALDH1A1HPGD

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 IKBKB 3421/4885ECE1 1647/4885CTSA 1692/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK IKBKB 3421/4885ECE1 1647/4885CTSA 1692/4885

“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.