SCHEMBL3755847

SCHEMBL3755847

CC(C)(C)OC(=O)NC(=O)CBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.41
AKT1 P31749 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
CA12 O43570 2/20 0.37
CA14 Q9ULX7 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
DGAT1 O75907 1/20 0.35
CTSK P43235 2/20 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
SCHEMBL10947963 0.83 TDP1 (0.42) APLNRAKT1TDP1CA1CA2
SCHEMBL240769 0.80 CA1 (0.42) APLNRTDP1CA1CA2CA7
SCHEMBL247123 0.78 TDP1 (0.44) APLNRTDP1CA1CA2CA7
SCHEMBL13625265 0.78 APLNR (0.44) APLNRTDP1CA1CA2CA7
SCHEMBL22018439 0.78 TDP1 (0.44) APLNRTDP1CA1CA2CA7
SCHEMBL20578018 0.78 MEN1 (0.42) APLNRTDP1CA1CA2CA7
SCHEMBL101218 0.78 DGAT1 (0.46) APLNRTDP1CA1CA2CA7
SCHEMBL4648803 0.78 TDP1 (0.53) TDP1CA1CA2MEN1KMT2A
SCHEMBL1926406 0.77 CA2 (0.40) APLNRTDP1CA1CA2CA7
SCHEMBL20288786 0.77 CA1 (0.43) APLNRTDP1CA1CA2CA7

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 10 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
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 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 APLNR 3645/4885AKT1 3469/4885TDP1 2877/4885

“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.