Sugi Predict

Sugi Predict / Compounds / SCHEMBL6001972

SCHEMBL6001972

SCHEMBL6001972

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.47
▸ XDH P47989 3/20 0.43
▸ TYMP P19971 1/20 0.42
▸ HINT1 P49773 2/20 0.38
▸ PNP P00491 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ GSK3A P49840 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ EDNRA P25101 1/20 0.35
▸ HTR2A P28223 1/20 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
SCHEMBL6420726 0.93 HPGD (0.49) HPGDXDHTYMPHINT1PNP
SCHEMBL1904551 0.86 PNP (0.44) HPGDXDHHINT1PNPTAAR1
SCHEMBL10446695 0.83 XDH (0.37) HPGDXDHHINT1PNPTAAR1
SCHEMBL29834207 0.79 SLC28A1 (0.35) TYMP
SCHEMBL29834213 0.79 KDM4E (0.41) HPGDTYMPTAS1R3TAS1R1
SCHEMBL29834195 0.78 ADORA1 (0.41) —
SCHEMBL26126812 0.78 HPGD (0.45) HPGDXDHHINT1PNPMEN1
SCHEMBL30514383 0.78 KDM4E (0.42) HPGDTYMPTAAR1TAS1R3TAS1R1
SCHEMBL3810729 0.77 HPGD (0.42) HPGDXDHHINT1PNPMEN1
SCHEMBL7191547 0.77 TAAR1 (0.37) HPGDXDHHINT1PNPTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (4 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 HPGD 2235/4885XDH 615/4885TYMP 115/4885
US-20040110717-A1 Nucleoside derivatives as inhibitors of rna-dependent rna viral polymerase NSUN2, NSUN3, POLRMT HPGD 2317/4885XDH 566/4885TYMP 170/4885
US-20040072788-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT HPGD 2235/4885XDH 615/4885TYMP 115/4885
US-20060205686-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT HPGD 2235/4885XDH 615/4885TYMP 115/4885

“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.