SCHEMBL3735869

SCHEMBL3735869

COc1ccc(Cc2c(CCC(=O)O)ccc(O)c2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
FFAR1 O14842 3/20 0.50
ALOX5 P09917 2/20 0.49
LMNA P02545 1/20 0.44
ATM Q13315 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
LDHA P00338 1/20 0.43
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43
F2RL1 P55085 1/20 0.42
GAA P10253 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41

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
Caffeic Acid SCHEMBL7790614 0.85 CCR5 (0.49) POLBALOX5LMNAATMNFKB1
SCHEMBL7368806 0.75 POLB (0.79) POLBFFAR1ALDH1A1PKM
SCHEMBL30792366 0.75 FFAR1 (0.81) POLBFFAR1LMNANFKB1NFKB2
SCHEMBL274471 0.75 FFAR1 (0.81) POLBFFAR1LMNANFKB1NFKB2
SCHEMBL21317665 0.74 POLB (1.00) POLBFFAR1ALDH1A1PKM
SCHEMBL21317651 0.74 POLB (0.58) POLBFFAR1NFKB1GAAALDH1A1
SCHEMBL26046352 0.74 POLB (0.45) POLBFFAR1FFAR4KEAP1ALDH1A1
SCHEMBL10893098 0.72 USP2 (0.48) POLBATMLDHAF2RL1ALDH1A1
SCHEMBL21317652 0.72 POLB (0.59) POLBFFAR1NFKB1GAAALDH1A1
SCHEMBL503646 0.72 ALOX5 (0.68) FFAR1ALOX5FFAR4F2RL1ALDH1A1

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 POLB 49/4885FFAR1 1986/4885ALOX5 1324/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 POLB 1463/4885FFAR1 1069/4885ALOX5 3919/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 POLB 49/4885FFAR1 1986/4885ALOX5 1324/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 POLB 322/4885FFAR1 259/4885ALOX5 847/4885

“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.