SCHEMBL1738941

SCHEMBL1738941

COCCO[C@@H]1[C@H](C=Cc2ccccc2)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1n1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.37
P2RY2 P41231 2/20 0.35
TK2 O00142 2/20 0.35
TK1 P04183 2/20 0.34
TYMP P19971 2/20 0.33
P2RY12 Q9H244 1/20 0.33

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
SCHEMBL1738942 1.00 TOP2A (0.37) TOP2AP2RY2TK2TK1TYMP
SCHEMBL1738120 0.87 TYMP (0.41) TOP2ATK2TK1TYMP
SCHEMBL1738118 0.87 TYMP (0.41) TOP2ATK2TK1TYMP
SCHEMBL7065021 0.86 TK2 (0.42) TOP2ATK2TK1TYMP
SCHEMBL7065019 0.86 TK2 (0.42) TOP2ATK2TK1TYMP
SCHEMBL1738199 0.85 TOP2A (0.38) TOP2ATK2TK1TYMP
SCHEMBL1738201 0.85 TOP2A (0.38) TOP2ATK2TK1TYMP
SCHEMBL6853095 0.85 TYMP (0.39) TOP2ATK2TK1TYMP
SCHEMBL7621283 0.80 TOP2A (0.49) TOP2ATK2TK1
SCHEMBL7708172 0.79 TOP2A (0.41) TOP2ATK2TK1TYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183373-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYERMASE MERCK SHARP & DOHME CORP. (US) 2017-06-29 US disclosed
US-20140309412-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE IONIS PHARMACEUTICALS, INC. 2014-10-16 US disclosed
US-8481712-B2 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME CORP. (US) 2013-07-09 US disclosed
US-20120165515-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME LLC 2012-06-28 US disclosed
EP-2399588-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase Merck Sharp & Dohme Corp. (US) 2011-12-28 EP disclosed
EP-2360166-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase Merck Sharp & Dohme Corp. (US) 2011-08-24 EP disclosed
US-20070275912-A1 Nucleoside derivatives as inhibitors of rna-dependent RNA viral polymerase MERCK SHARP & DOHME CORP. 2007-11-29 US disclosed
US-7202224-B2 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK & CO., INC. (US) 2007-04-10 US disclosed
US-20060264390-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase IONIS PHARMACEUTICALS, INC. 2006-11-23 US disclosed
US-7125855-B2 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK & CO., INC. (US) 2006-10-24 US disclosed
US-20060205686-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase BHAT BALKRISHEN 2006-09-14 US disclosed
US-7105499-B2 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK & CO., INC. (US) 2006-09-12 US disclosed
US-20050272676-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase BHAT BALKRISHEN 2005-12-08 US disclosed
US-6777395-B2 VIRICIDES MERCK & CO., INC. 2004-08-17 US disclosed
US-20040110717-A1 Nucleoside derivatives as inhibitors of rna-dependent rna viral polymerase MERCK SHARP & DOHME LLC 2004-06-10 US disclosed
US-20040072788-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase BHAT BALKRISHEN (US) 2004-04-15 US disclosed
US-20040067901-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME LLC 2004-04-08 US disclosed
US-20040014957-A1 Oligonucleotides having modified nucleoside units ISIS PHARMACEUTICALS, INC. 2004-01-22 US disclosed
US-20020147160-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME LLC 2002-10-10 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 (12 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-20040067901-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT TOP2A 1100/4885P2RY2 2000/4885TK2 508/4885
US-20040014957-A1 Oligonucleotides having modified nucleoside units RNASE1, RNASEH1, RNASEL TOP2A 919/4885P2RY2 3378/4885TK2 276/4885
US-20040110717-A1 Nucleoside derivatives as inhibitors of rna-dependent rna viral polymerase NSUN2, NSUN3, POLRMT TOP2A 1226/4885P2RY2 1787/4885TK2 637/4885
US-20170183373-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYERMASE POLRMT, DUT, RNASE1 TOP2A 1336/4885P2RY2 2456/4885TK2 383/4885
US-20060264390-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT TOP2A 1100/4885P2RY2 2000/4885TK2 508/4885
US-20040072788-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT TOP2A 1100/4885P2RY2 2000/4885TK2 508/4885
US-20140309412-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE NSUN2, NSUN3, POLRMT TOP2A 1100/4885P2RY2 2000/4885TK2 508/4885
US-20050272676-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT TOP2A 1100/4885P2RY2 2000/4885TK2 508/4885
US-20020147160-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT TOP2A 1100/4885P2RY2 2000/4885TK2 508/4885
US-20120165515-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT TOP2A 1100/4885P2RY2 2000/4885TK2 508/4885
US-20060205686-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT TOP2A 1100/4885P2RY2 2000/4885TK2 508/4885
US-20070275912-A1 Nucleoside derivatives as inhibitors of rna-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT TOP2A 1100/4885P2RY2 2000/4885TK2 508/4885

“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.