SCHEMBL1738400

SCHEMBL1738400

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMP P19971 11/20 0.68
HPGD P15428 1/20 0.54
HINT1 P49773 4/20 0.52
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
GSK3A P49840 2/20 0.50
RPS6KA3 P51812 2/20 0.50
MAPK14 Q16539 2/20 0.50
NT5E P21589 1/20 0.49

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
SCHEMBL16702978 1.00 TYMP (0.68) TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL18042134 1.00 TYMP (0.68) TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL21905181 0.94 TYMP (0.67) TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL6420722 0.93 TYMP (0.79) TYMPHPGDHINT1GSK3ARPS6KA3
SCHEMBL17223100 0.92 TYMP (0.64) TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL6460952 0.91 TYMP (0.63) TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL313746 0.90 TYMP (0.62) TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL313747 0.90 TYMP (0.62) TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL5960204 0.90 TYMP (0.69) TYMPHPGDHINT1GSK3ARPS6KA3
SCHEMBL10433562 0.89 TYMP (0.60) TYMPHPGDHINT1TAS1R3TAS1R1

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
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-20060205686-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase BHAT BALKRISHEN 2006-09-14 US disclosed
EP-1539188-A2 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE Merck & Co., Inc. (US) 2005-06-15 EP 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-20020147160-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME LLC 2002-10-10 US disclosed
WO-2002057425-A2 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE MERCK & CO., INC. (US) 2002-07-25 WO 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 (5 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 TYMP 115/4885HPGD 2235/4885HINT1 778/4885
US-20040110717-A1 Nucleoside derivatives as inhibitors of rna-dependent rna viral polymerase NSUN2, NSUN3, POLRMT TYMP 170/4885HPGD 2317/4885HINT1 567/4885
US-20040072788-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT TYMP 115/4885HPGD 2235/4885HINT1 778/4885
US-20020147160-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT TYMP 115/4885HPGD 2235/4885HINT1 778/4885
US-20060205686-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT TYMP 115/4885HPGD 2235/4885HINT1 778/4885

“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.