SCHEMBL3735872

SCHEMBL3735872

COc1ccc(CC(Cc2ccc(O)c(O)c2)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.59
ALOX15 P16050 7/20 0.55
IGF1R P08069 2/20 0.55
PPARG P37231 3/20 0.54
KDM6B O15054 1/20 0.54
ERCC1 P07992 1/20 0.53
ERCC4 Q92889 1/20 0.53
KDM4E B2RXH2 3/20 0.53
RECQL P46063 3/20 0.53
HIF1A Q16665 3/20 0.53
HSD17B10 Q99714 3/20 0.53
USP2 O75604 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
HTR2A P28223 2/20 0.53
PTGS2 P35354 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
EGFR P00533 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
PTGS1 P23219 1/20 0.53

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
SCHEMBL10436394 0.87 LDHA (0.76) LDHAPPARGPPARAPPARDKMT2A
Caffeic Acid SCHEMBL7790618 0.87 KDM4E (0.56) KDM4ERECQLHIF1AHSD17B10USP2
SCHEMBL6177184 0.83 CYP1A2 (0.69) LDHAPPARGPPARAKMT2ACYP1A2
SCHEMBL4453569 0.83 PPARG (0.72) LDHAPPARGPPARAPPARDKMT2A
SCHEMBL12191490 0.83 PPARG (0.72) LDHAPPARGPPARAPPARDKMT2A
SCHEMBL12493566 0.81 LDHA (0.71) LDHAPPARGPPARAPPARDKMT2A
SCHEMBL12494157 0.81 LDHA (0.71) LDHAPPARGPPARAPPARDKMT2A
SCHEMBL12493710 0.79 LDHA (0.63) LDHAPPARGSLC7A5PPARAKMT2A
SCHEMBL6178867 0.78 LDHA (0.67) LDHAPPARGPPARAKMT2AALDH1A1
SCHEMBL21194011 0.78 LDHA (0.67) LDHAPPARGPPARAPPARDKMT2A

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 LDHA 1234/4885ALOX15 1142/4885IGF1R 3687/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 LDHA 1605/4885ALOX15 3128/4885IGF1R 1620/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 LDHA 1234/4885ALOX15 1142/4885IGF1R 3687/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 LDHA 3579/4885ALOX15 503/4885IGF1R 2368/4885

“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.