SCHEMBL3734720

SCHEMBL3734720

COc1ccc(COC(=O)C(O)C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HTT P42858 2/20 0.49
LDHA P00338 1/20 0.49
ATM Q13315 1/20 0.48
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP9 P14780 2/20 0.47
MMP1 P03956 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
LTA4H P09960 1/20 0.46
LAP3 P28838 1/20 0.46
MMP2 P08253 1/20 0.46
MMP12 P39900 1/20 0.46
FFAR1 O14842 1/20 0.45
FABP7 O15540 1/20 0.45

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
SCHEMBL3734717 1.00 ALDH1A1 (0.51) ALDH1A1HTTLDHAATMNPC1
SCHEMBL15607973 0.91 ALDH1A1 (0.55) ALDH1A1HTTLDHAATMNPC1
SCHEMBL13516887 0.91 ALDH1A1 (0.55) ALDH1A1HTTLDHAATMNPC1
SCHEMBL23750675 0.86 ALDH1A1 (0.54) ALDH1A1HTTLDHAATMNPC1
SCHEMBL3736036 0.86 ALDH1A1 (0.54) ALDH1A1HTTLDHAATMNPC1
SCHEMBL4456075 0.84 ALDH1A1 (0.55) ALDH1A1HTTLDHAATMNPC1
SCHEMBL8570835 0.84 ALDH1A1 (0.55) ALDH1A1HTTLDHAATMNPC1
SCHEMBL29748635 0.82 ALDH1A1 (0.50) ALDH1A1HTTLDHAATMNPC1
SCHEMBL28385330 0.81 ALDH1A1 (0.53) ALDH1A1HTTLDHAATMNPC1
SCHEMBL329135 0.81 ALDH1A1 (0.58) ALDH1A1ATMNPC1RAB9ALTA4H

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-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
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 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
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 ALDH1A1 1605/4885HTT 4361/4885LDHA 1234/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 ALDH1A1 876/4885HTT 4880/4885LDHA 1605/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 ALDH1A1 1605/4885HTT 4361/4885LDHA 1234/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 ALDH1A1 1104/4885HTT 3428/4885LDHA 3579/4885

“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.