SCHEMBL3739740

SCHEMBL3739740

COc1ccc(CCC(O)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.59
ALDH1A1 P00352 2/20 0.54
F2RL1 P55085 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
FFAR1 O14842 1/20 0.50
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALOX15 P16050 1/20 0.48
GAA P10253 1/20 0.48
ALOX5 P09917 1/20 0.47
CALM1 P0DP23 1/20 0.47

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
SCHEMBL7676917 1.00 LDHA (0.59) LDHAALDH1A1F2RL1SMN1; SMN2FFAR1
SCHEMBL1236958 0.90 LDHA (0.56) LDHAALDH1A1F2RL1ALOX5CALM1
SCHEMBL1238082 0.90 LDHA (0.56) LDHAALDH1A1F2RL1ALOX5CALM1
SCHEMBL1237034 0.90 LDHA (0.56) LDHAALDH1A1F2RL1ALOX5CALM1
SCHEMBL27712878 0.89 LDHA (0.54) LDHAALDH1A1F2RL1ALOX15ALOX5
SCHEMBL5490625 0.86 LDHA (0.51) LDHAALDH1A1F2RL1ALOX5CALM1
SCHEMBL28126646 0.86 LDHA (0.68) LDHAALDH1A1F2RL1SMN1; SMN2FFAR1
SCHEMBL17873232 0.83 LDHA (0.59) LDHAALDH1A1F2RL1SMN1; SMN2FFAR1
SCHEMBL2817931 0.82 LDHA (0.73) LDHAFFAR1HTT
SCHEMBL8953524 0.82 LDHA (0.73) LDHAFFAR1HTT

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 11 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
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-0988304-A1 NUCLEOSIDES ANALOGUES, SUCH AS ANTIVIRALS INCLUDING INHIBITORS OF RETROVIRAL REVERSE TRANSCRIPTASE AND THE DNA POLYMERASE OF HEPATITIS B VIRUS (HBV) MEDIVIR AB (SE) 2000-03-29 EP disclosed
WO-1999009031-A1 NUCLEOSIDES ANALOGUES, SUCH AS ANTIVIRALS INCLUDING INHIBITORS OF RETROVIRAL REVERSE TRANSCRIPTASE AND THE DNA POLYMERASE OF HEPATITIS B VIRUS (HBV) MEDIVIR AB (SE) 1999-02-25 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 LDHA 1234/4885ALDH1A1 1605/4885F2RL1 4387/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 LDHA 1605/4885ALDH1A1 876/4885F2RL1 3772/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 LDHA 1234/4885ALDH1A1 1605/4885F2RL1 4387/4885

“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.