SCHEMBL3735867

SCHEMBL3735867

COc1ccc(COC(=O)CCc2ccc(O)c(O)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.62
IGF1R P08069 1/20 0.60
ALOX15 P16050 1/20 0.60
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
SLC5A1 P13866 1/20 0.55
SLC5A2 P31639 1/20 0.55
AKR1B1 P15121 1/20 0.54
CYP19A1 P11511 2/20 0.51
TYR P14679 1/20 0.51
ERCC1 P07992 1/20 0.51
ERCC4 Q92889 1/20 0.51
MAPT P10636 3/20 0.50
IAPP P10997 2/20 0.50
GAA P10253 2/20 0.50
GFER P55789 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 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
SCHEMBL197805 0.84 APP (0.76) APPIGF1RALOX15AKR1B1CYP19A1
SCHEMBL7790611 0.82 APP (0.57) APPAKR1B1
SCHEMBL3732372 0.82 ALDH1A1 (0.59) NFKB1NFKB2RELAMAPTGAA
SCHEMBL305162 0.81 MAPT (0.68) NFKB1NFKB2RELAMAPTALDH1A1
SCHEMBL26023562 0.81 MAPT (0.68) NFKB1NFKB2RELAMAPTALDH1A1
SCHEMBL490911 0.79 APP (0.73) APPIGF1RALOX15CYP19A1TYR
SCHEMBL30291871 0.79 APP (0.73) APPIGF1RALOX15CYP19A1TYR
SCHEMBL29116446 0.79 APP (0.64) APPIGF1RALOX15NFKB1NFKB2
SCHEMBL23849525 0.79 NPC1 (0.58) IGF1RALOX15NFKB1NFKB2RELA
SCHEMBL11276134 0.79 FFAR1 (0.54) NFKB1NFKB2RELASLC5A1SLC5A2

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 12 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
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-1121366-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 2001-08-08 EP disclosed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP disclosed
WO-1999051613-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 1999-10-14 WO disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 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 APP 3868/4885IGF1R 3687/4885ALOX15 1142/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 APP 705/4885IGF1R 1620/4885ALOX15 3128/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 APP 3868/4885IGF1R 3687/4885ALOX15 1142/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 APP 4211/4885IGF1R 2368/4885ALOX15 503/4885

“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.