SCHEMBL3764652

SCHEMBL3764652

CC(C)(C)OC(=O)NOCc1ccc(-c2nc(NC(=O)OC(C)(C)C)cs2)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 1/20 0.44
HPGDS O60760 1/20 0.39
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
CDK5 Q00535 4/20 0.36
CDK5R1 Q15078 4/20 0.36
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
ABL1 P00519 1/20 0.36
MAPKAPK2 P49137 3/20 0.36
SIRT1 Q96EB6 1/20 0.35
CYP17A1 P05093 1/20 0.34

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
SCHEMBL20390105 0.92 SREBF2 (0.40) SREBF2HPGDSCDK5CDK5R1CCNA2
SCHEMBL12681433 0.89 SREBF2 (0.38) SREBF2HPGDS
SCHEMBL12681411 0.88 SREBF2 (0.41) SREBF2HPGDSMAPKAPK2
SCHEMBL12681448 0.86 AAK1 (0.43) SREBF2
SCHEMBL31341055 0.80 RAB9A (0.46) SREBF2HPGDSGSK3BDYRK1A
SCHEMBL31340947 0.80 HPGDS (0.47) SREBF2HPGDSGSK3BDYRK1ACDK5
SCHEMBL31341058 0.79 HPGDS (0.46) SREBF2HPGDSGSK3BDYRK1ACDK5
SCHEMBL31340994 0.78 CHEK1 (0.48) SREBF2HPGDSGSK3BDYRK1ACDK5
SCHEMBL31341023 0.76 CDK5 (0.44) SREBF2HPGDSGSK3BDYRK1ACDK5
SCHEMBL31341012 0.75 CDK5 (0.57) SREBF2HPGDSCDK5CDK5R1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842813-B2 for synthesis of erythromycin derivatives; reacting thionyl chloride with 6-hydroxylmethyl-nicotinic acid methyl ester to provide 6-chloromethyl-nicotinic acid methyl ester, chlorinating, reacting with ammonia or ammonium hydroxide, sulfiding ENANTA PHARMACEUTICALS, INC. (US) 2010-11-30 US claimed
US-20090281324-A1 PROCESSES FOR THE PREPARATION OF O-[5-(4-AMINO-THIAZOL-2-YL)-PYRIDIN-2-YLMETHYL]-HYDROXYLAMINE ENANTA PHARMACEUTICALS, INC. 2009-11-12 US claimed
US-7842813-B2 for synthesis of erythromycin derivatives; reacting thionyl chloride with 6-hydroxylmethyl-nicotinic acid methyl ester to provide 6-chloromethyl-nicotinic acid methyl ester, chlorinating, reacting with ammonia or ammonium hydroxide, sulfiding ENANTA PHARMACEUTICALS, INC. (US) 2010-11-30 US disclosed
US-7842813-B2 for synthesis of erythromycin derivatives; reacting thionyl chloride with 6-hydroxylmethyl-nicotinic acid methyl ester to provide 6-chloromethyl-nicotinic acid methyl ester, chlorinating, reacting with ammonia or ammonium hydroxide, sulfiding ENANTA PHARMACEUTICALS, INC. (US) 2010-11-30 US disclosed
US-7842813-B2 for synthesis of erythromycin derivatives; reacting thionyl chloride with 6-hydroxylmethyl-nicotinic acid methyl ester to provide 6-chloromethyl-nicotinic acid methyl ester, chlorinating, reacting with ammonia or ammonium hydroxide, sulfiding ENANTA PHARMACEUTICALS, INC. (US) 2010-11-30 US disclosed
WO-2009137739-A1 PROCESSES FOR THE PREPARATION OF O-[5-[4-AMINO-THIAZOL-2-YL]-PYRIDIN-2-YLMETHYL]-HYDROXYLAMINE ENANTA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
US-20090281324-A1 PROCESSES FOR THE PREPARATION OF O-[5-(4-AMINO-THIAZOL-2-YL)-PYRIDIN-2-YLMETHYL]-HYDROXYLAMINE ENANTA PHARMACEUTICALS, INC. 2009-11-12 US disclosed
US-20090281324-A1 PROCESSES FOR THE PREPARATION OF O-[5-(4-AMINO-THIAZOL-2-YL)-PYRIDIN-2-YLMETHYL]-HYDROXYLAMINE ENANTA PHARMACEUTICALS, INC. 2009-11-12 US disclosed
US-20090281324-A1 PROCESSES FOR THE PREPARATION OF O-[5-(4-AMINO-THIAZOL-2-YL)-PYRIDIN-2-YLMETHYL]-HYDROXYLAMINE ENANTA PHARMACEUTICALS, INC. 2009-11-12 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 (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-20090281324-A1 PROCESSES FOR THE PREPARATION OF O-[5-(4-AMINO-THIAZOL-2-YL)-PYRIDIN-2-YLMETHYL]-HYDROXYLAMINE THOP1, HPD, TH SREBF2 4822/4885HPGDS 246/4885GSK3B 1725/4885

“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.