SCHEMBL3728798

SCHEMBL3728798

COc1ccc(COC(=O)c2ccc(=O)n(CCO)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MMP9 P14780 2/20 0.45
MMP1 P03956 1/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 2/20 0.42
MMP2 P08253 1/20 0.42
MMP12 P39900 1/20 0.42
ESR2 Q92731 1/20 0.41
TBXAS1 P24557 1/20 0.41
ALKBH1 Q13686 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL31139259 0.79 LMNA (0.59) ALDH1A1SMN1; SMN2MAPTPOLBKMT2A
SCHEMBL16689961 0.78 KMT2A (0.67) ALDH1A1MMP9MMP1NPC1SMN1; SMN2
SCHEMBL2463599 0.76 KDM4E (0.57) ALDH1A1GAAKDM4EHTT
SCHEMBL1129093 0.74 MEN1 (0.77) ALDH1A1MMP9MMP1NPC1SMN1; SMN2
SCHEMBL3729736 0.74 MAPT (0.58) ALDH1A1MMP9MMP1NPC1SMN1; SMN2
SCHEMBL10636593 0.73 NPC1 (0.71) ALDH1A1MMP9MMP1NPC1SMN1; SMN2
SCHEMBL27881866 0.73 MAPT (0.60) ALDH1A1MMP9MMP1NPC1SMN1; SMN2
SCHEMBL16704815 0.73 MAPT (0.60) ALDH1A1MMP9MMP1NPC1SMN1; SMN2
SCHEMBL30640876 0.73 KMT2A (0.55) ALDH1A1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL13596050 0.72 KMT2A (0.65) ALDH1A1MMP9MMP1NPC1SMN1; SMN2

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-1150956-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2001-11-07 EP disclosed
EP-1121366-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 2001-08-08 EP disclosed
WO-2000047561-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2000-08-17 WO disclosed
WO-1999051613-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 1999-10-14 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 (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 ALDH1A1 1605/4885MMP9 936/4885MMP1 2347/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 ALDH1A1 876/4885MMP9 2008/4885MMP1 2387/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 ALDH1A1 1605/4885MMP9 936/4885MMP1 2347/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 ALDH1A1 1104/4885MMP9 2433/4885MMP1 1381/4885

“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.