SCHEMBL3729946

SCHEMBL3729946

CCC(C)C(N)C(=O)OC(CC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.56
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ABCB1 P08183 1/20 0.42
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
CA1 P00915 1/20 0.41
MMP9 P14780 1/20 0.40
LMNA P02545 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
SCHEMBL3729951 1.00 SLC15A1 (0.56) SLC15A1ALDH1A1MAPK1L3MBTL1ABCB1
SCHEMBL3733628 0.90 SLC15A1 (0.65) SLC15A1ALDH1A1MAPK1L3MBTL1ABCB1
SCHEMBL3733625 0.90 SLC15A1 (0.65) SLC15A1ALDH1A1MAPK1L3MBTL1ABCB1
SCHEMBL8127599 0.89 SLC15A1 (0.52) SLC15A1ALDH1A1MAPK1L3MBTL1ABCB1
SCHEMBL6026929 0.89 SLC15A1 (0.52) SLC15A1ALDH1A1MAPK1L3MBTL1ABCB1
SCHEMBL3736348 0.85 SLC15A1 (0.54) SLC15A1ALDH1A1MAPK1L3MBTL1ABCB1
SCHEMBL3736352 0.85 SLC15A1 (0.54) SLC15A1ALDH1A1MAPK1L3MBTL1ABCB1
SCHEMBL8131712 0.84 SLC15A1 (0.52) SLC15A1ALDH1A1MAPK1L3MBTL1ABCB1
SCHEMBL8131707 0.83 SLC15A1 (0.51) SLC15A1ALDH1A1MAPK1L3MBTL1ABCB1
SCHEMBL730695 0.82 SLC15A1 (0.53) SLC15A1ALDH1A1MAPK1L3MBTL1SLC1A3

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
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
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
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 (3 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 SLC15A1 1743/4885ALDH1A1 1605/4885MAPK1 3742/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 SLC15A1 548/4885ALDH1A1 876/4885MAPK1 1366/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 SLC15A1 1743/4885ALDH1A1 1605/4885MAPK1 3742/4885

“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.