Sugi Predict

Sugi Predict / Compounds / SCHEMBL711245

SCHEMBL711245

SCHEMBL711245

Nc1nc2c(c(=O)[nH]1)NCN2CCC(CO)C(O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 9/20 0.55
▸ NOS1 P29475 3/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ PAH P00439 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ BLM P54132 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ RGS12 O14924 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL9116476 0.92 HPRT1 (0.54) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL571080 0.90 HPRT1 (0.60) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL5181365 0.88 HPRT1 (0.61) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL146837 0.86 HPRT1 (0.58) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL9663134 0.86 HPRT1 (0.55) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL7192798 0.85 HPRT1 (0.57) HPRT1NOS1CASP7HSD17B10USP2
Water SCHEMBL10414024 0.85 HPRT1 (0.57) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL7197096 0.85 HPRT1 (0.57) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL10916964 0.84 HPRT1 (0.56) HPRT1NOS1CASP7HSD17B10USP2
SCHEMBL10920053 0.84 HPRT1 (0.56) HPRT1NOS1CASP7HSD17B10USP2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120123119-A1 ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 2012-05-17 — — US disclosed
US-8124609-B2 Acyclic nucleoside derivatives MEDIVIR AB (SE) 2012-02-28 — — US disclosed
US-7825238-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2010-11-02 — — US disclosed
US-20090076041-A1 ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 2009-03-19 — — US disclosed
US-7432274-B2 Acyclic nucleoside derivatives MEDIVIR AB (SE) 2008-10-07 — — US disclosed
US-7189849-B2 Synthesis of acyclic nucleoside derivatives MEDIVIR AB (SE) 2007-03-13 — — 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
US-20040024214-A1 Synthesis of acyclic nucleoside derivatives MEDIVIR AB (SE) 2004-02-05 — — US disclosed
US-20030186924-A1 Prodrugs MEDIVIR AB 2003-10-02 — — US disclosed
US-6613936-B1 Herpes and retroviral infections; diester derivatives of H2G bearing specific combinations of an amino acid ester and a fatty acid ester, improved oral bioavailability; 9-(2-(butyryloxymethyl)-4-(L-isoleucyloxy)butyl)guanine MEDIVIR AB (SE) 2003-09-02 — — US disclosed
US-6576763-B1 Stereospecific acylation; viricides for herpes and retroviruses MEDIVIR AB (SE) 2003-06-10 — — US disclosed
EP-0880521-B1 SYNTHESIS OF ACYCLIC NUCLEOSIDES MEDIVIR AB (SE) 2003-01-22 — — EP disclosed
EP-0888348-B1 ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 2003-01-22 — — EP disclosed
US-20020188125-A1 Acyclic nucleoside derivatives MEDIVIR AB 2002-12-12 — — US disclosed
US-6458772-B1 Prodrugs MEDIVIR AB (SE) 2002-10-01 — — US disclosed
US-6255312-B1 VIRICIDES MEDIVIR AB (SE) 2001-07-03 — — US disclosed
US-6184376-B1 POTENT ANTIVIRALS, ESPECIALLY AGAINST HERPES INFECTIONS, SUCH AS THOSE CAUSED BY VARICELLA ZOSTER VIRUS, HERPES SIMPLEX, EPSTEIN-BARR VIRUS, HERPES TYPE 6 (HHV-6) AND TYPE 8 (HHV-8). SHINGLES IN THE ELDERLY OR CHICKEN POX IN THE YOUNG MEDIVER AB (SE) 2001-02-06 — — 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 (7 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 HPRT1 37/4885NOS1 2797/4885CASP7 169/4885
US-20090076041-A1 ACYCLIC NUCLEOSIDE DERIVATIVES NUDT1, PNP, NSUN2 HPRT1 19/4885NOS1 1600/4885CASP7 2528/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 HPRT1 113/4885NOS1 785/4885CASP7 217/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 HPRT1 37/4885NOS1 2797/4885CASP7 169/4885
US-20120123119-A1 ACYCLIC NUCLEOSIDE DERIVATIVES NUDT1, PNP, NSUN2 HPRT1 16/4885NOS1 1502/4885CASP7 2455/4885
US-20040024214-A1 Synthesis of acyclic nucleoside derivatives NSUN2, SLC28A1, NUDT1 HPRT1 33/4885NOS1 1896/4885CASP7 3328/4885
US-20020188125-A1 Acyclic nucleoside derivatives NSUN2, NUDT1, PNP HPRT1 20/4885NOS1 2572/4885CASP7 2566/4885

“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.