SCHEMBL3732586

SCHEMBL3732586

O=C(O)CCC(=O)OC(CBr)CBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.41
EGLN1 Q9GZT9 3/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.41
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
PHF8 Q9UPP1 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
LPAR1 Q92633 4/20 0.36
CYP1A2 P05177 3/20 0.35
MAPK1 P28482 6/20 0.34
MAPT P10636 4/20 0.34
GMNN O75496 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MEN1 O00255 2/20 0.34
HSP90AA1 P07900 2/20 0.34
BLM P54132 2/20 0.34
KMT2A Q03164 2/20 0.34
NR1H4 Q96RI1 2/20 0.34
TSHR P16473 2/20 0.34

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
SCHEMBL542358 0.79 MAPT (0.53) LMNAEGLN1ALKBH5SUCNR1KDM6B
SCHEMBL10553250 0.77 EGLN1 (0.45) LMNAEGLN1ALKBH5SUCNR1KDM6B
Water SCHEMBL9474377 0.77 MAPT (0.52) LMNAEGLN1ALKBH5SUCNR1KDM6B
SCHEMBL1405394 0.76 LMNA (0.56) LMNALPAR1ALDH1A1
SCHEMBL12833392 0.74 MAPK1 (0.44) LMNAEGLN1KDM6BKDM5CPHF8
SCHEMBL3791600 0.72 LPAR6 (0.42) LMNAEGLN1ALKBH5SUCNR1KDM6B
SCHEMBL2044547 0.72 MAPT (0.47) LMNAEGLN1ALKBH5SUCNR1KDM6B
SCHEMBL24454652 0.71 EGLN1 (0.48) LMNAEGLN1ALKBH5SUCNR1KDM6B
SCHEMBL15270647 0.71 LMNA (0.45) LMNAEGLN1ALKBH5SUCNR1KDM6B
SCHEMBL68486 0.71 LMNA (0.45) LMNAEGLN1ALKBH5SUCNR1KDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825238-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2010-11-02 US disclosed
US-7071173-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2006-07-04 US disclosed
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine MEDIVIR AB (SE) 2006-06-08 US disclosed
US-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE MEDIVIR AB (SE) 2006-03-16 US disclosed
US-6974802-B2 Treatment of viral infections using prodrugs of 2′,3-dideoxy,3′-fluoroguanosine MEDIVIR AB (SE) 2005-12-13 US disclosed
EP-1123935-B1 3'-Fluorinated guanosine derivatives for the treatment or prophylaxis of HBV or retroviral infections MEDIVIR AB (SE) 2005-04-13 EP disclosed
US-20030186924-A1 Prodrugs MEDIVIR AB 2003-10-02 US disclosed
US-6458772-B1 Prodrugs MEDIVIR AB (SE) 2002-10-01 US disclosed
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors AB, Medivir (SE) 2002-09-12 US disclosed
EP-1123935-A2 3'-Fluorinated guanosine derivatives for the treatment or prophylaxis of HBV or retroviral infections MEDIVIR AB (SE) 2001-08-16 EP disclosed
EP-0988304-B1 NUCLEOSIDES ANALOGUES, SUCH AS ANTIVIRALS INCLUDING INHIBITORS OF RETROVIRAL REVERSE TRANSCRIPTASE AND THE DNA POLYMERASE OF HEPATITIS B VIRUS (HBV) MEDIVIR AB (SE) 2001-05-02 EP disclosed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP disclosed
EP-0988304-A1 NUCLEOSIDES ANALOGUES, SUCH AS ANTIVIRALS INCLUDING INHIBITORS OF RETROVIRAL REVERSE TRANSCRIPTASE AND THE DNA POLYMERASE OF HEPATITIS B VIRUS (HBV) MEDIVIR AB (SE) 2000-03-29 EP disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 WO disclosed
WO-1999009031-A1 NUCLEOSIDES ANALOGUES, SUCH AS ANTIVIRALS INCLUDING INHIBITORS OF RETROVIRAL REVERSE TRANSCRIPTASE AND THE DNA POLYMERASE OF HEPATITIS B VIRUS (HBV) MEDIVIR AB (SE) 1999-02-25 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-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE UNG, HAVCR2, EIF2AK2 LMNA 2899/4885EGLN1 2710/4885ALKBH5 331/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 LMNA 2190/4885EGLN1 2465/4885ALKBH5 2558/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 LMNA 2899/4885EGLN1 2710/4885ALKBH5 331/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 LMNA 1911/4885EGLN1 437/4885ALKBH5 399/4885

“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.