SCHEMBL6450341

SCHEMBL6450341

Nc1ccn([C@@H]2CS[C@H](COC(=O)c3ccccc3)O2)c(=O)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.67
LMNA P02545 3/20 0.67
PDE3A Q14432 3/20 0.67
CACNA1F O60840 2/20 0.67
MAPT P10636 2/20 0.67
CACNA1D Q01668 2/20 0.67
CACNA1S Q13698 2/20 0.67
CACNA1C Q13936 2/20 0.67
POLG P54098 3/20 0.61
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
ST6GAL1 P15907 2/20 0.40
THRB P10828 1/20 0.39
MTOR P42345 1/20 0.39
MDM2 Q00987 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
PPM1B O75688 1/20 0.39

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
SCHEMBL6448105 1.00 ALB (0.67) ALBLMNAPDE3ACACNA1FMAPT
SCHEMBL9195439 1.00 ALB (0.67) ALBLMNAPDE3ACACNA1FMAPT
SCHEMBL9195454 1.00 ALB (0.67) ALBLMNAPDE3ACACNA1FMAPT
SCHEMBL7932120 1.00 ALB (0.67) ALBLMNAPDE3ACACNA1FMAPT
SCHEMBL1389107 0.89 ALB (0.61) ALBLMNAPDE3ACACNA1FMAPT
Water SCHEMBL3460531 0.88 ALB (0.60) ALBLMNAPDE3ACACNA1FMAPT
SCHEMBL14580363 0.87 ALB (0.70) ALBLMNAPDE3ACACNA1FMAPT
SCHEMBL9719001 0.85 ALB (0.47) ALBLMNAPDE3ACACNA1FMAPT
SCHEMBL598860 0.85 POLG (0.66) ALBLMNAPDE3ACACNA1FMAPT
SCHEMBL23788550 0.85 ALB (0.76) ALBLMNAPDE3ACACNA1FMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250950-A1 1,3-oxathiolane nucleoside analogues SHIRE CANADA INC. (CA) 2005-11-10 US disclosed
US-20030004175-A1 1,3-oxathiolane nucleoside analogues BIOCHEM PHARMA INC. (CA) 2003-01-02 US disclosed
EP-0517145-B1 Crystalline oxathiolane derivatives GLAXO GROUP LTD (GB) 2002-01-30 EP disclosed
EP-1099700-A1 Crystalline oxathiolane derivatives GLAXO GROUP LIMITED (GB) 2001-05-16 EP disclosed
EP-1062950-A2 1,3 Oxathiolane nucleoside analogues BIOCHEM PHARMA INC (CA) 2000-12-27 EP disclosed
US-5905082-A TREATING HIV IN HUMANS GLAXO GROUP LIMITED (GB) 1999-05-18 US disclosed
US-5859021-A SYNERGISTIC ANTI-HIV MIXTURE OF COMPOUNDS (2R, CIS)-4-AMINO-1-(2-HYDROXY-METHYL-1,3-OXATHIOLAN-5-YL)-1 H-PYRIMIDIN-2-ONE AND 3*-AZIDO-3*-DEOXYTHYMIDINE (AZT) OR THEIR SALTS AND ESTERS; NO INCREASE IN CYTOTOXICITY GLAXO GROUP LIMITED (GB) 1999-01-12 US disclosed
US-5627186-A Antiviral combinations GLAXO GROUP LIMITED (GB) 1997-05-06 US disclosed
EP-0513917-B1 Antiviral combinations containing nucleoside analogs GLAXO GROUP LTD (GB) 1995-12-20 EP disclosed
EP-0674634-A1 PROCESS FOR PREPARING SUBSTITUTED 1,3-OXATHIOLANES WITH ANTIVIRAL PROPERTIES BIOCHEM PHARMA INC (CA) 1995-10-04 EP disclosed
WO-1992021676-A1 CRYSTALLINE OXATHIOLANE DERIVATIVES GLAXO GROUP LIMITED (GB) 1992-12-10 WO disclosed
EP-0517145-A1 Crystalline oxathiolane derivatives GLAXO GROUP LIMITED (GB) 1992-12-09 EP disclosed
WO-1992020344-A1 ANTIVIRAL COMBINATIONS CONTAINING NUCLEOSIDE ANALOGS GLAXO GROUP LIMITED (GB) 1992-11-26 WO disclosed
WO-1991017159-A1 1,3-OXATHIOLANE NUCLEOSIDE ANALOGUES IAF BIOCHEM INTERNATIONAL INC. (CA) 1991-11-14 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 (2 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-20030004175-A1 1,3-oxathiolane nucleoside analogues TYMP, PNP, MTAP ALB 1882/4885LMNA 1664/4885PDE3A 728/4885
US-20050250950-A1 1,3-oxathiolane nucleoside analogues TYMP, PNP, NUDT1 ALB 1696/4885LMNA 1866/4885PDE3A 512/4885

“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.