SCHEMBL3733637

SCHEMBL3733637

CC(C)[C@H](N)C(=O)OCC(COC(=O)CCCC(=O)O)OC(=O)[C@@H](N)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TLR2 O60603 3/20 0.41
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PRKCA P17252 3/20 0.38
▸ PRKCE Q02156 1/20 0.38
▸ PRKCQ Q04759 1/20 0.38
▸ PRKCD Q05655 1/20 0.38
▸ LPAR3 Q9UBY5 5/20 0.37
▸ LPAR1 Q92633 3/20 0.37
▸ ENPP2 Q13822 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LPAR2 Q9HBW0 2/20 0.36

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
SCHEMBL3727562 0.91 ALDH1A1 (0.40) ALDH1A1LMNATLR2MAPTPRKCA
SCHEMBL3730333 0.88 ALDH1A1 (0.44) ALDH1A1LMNATLR2MAPTTSHR
SCHEMBL3730336 0.88 ALDH1A1 (0.44) ALDH1A1LMNATLR2MAPTTSHR
SCHEMBL3727859 0.84 PRKCA (0.36) ALDH1A1LMNATLR2PRKCA
SCHEMBL26231114 0.83 SLC7A5 (0.39) ALDH1A1LMNATSHRPRKCASMN1; SMN2
SCHEMBL3728217 0.79 ALDH1A1 (0.40) ALDH1A1LMNATLR2MAPTTSHR
SCHEMBL3728214 0.79 ALDH1A1 (0.40) ALDH1A1LMNATLR2MAPTTSHR
SCHEMBL29846335 0.75 ALDH1A1 (0.51) ALDH1A1LMNATLR2TSHRPRKCA
SCHEMBL15324430 0.75 ALDH1A1 (0.39) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL3737079 0.75 TSHR (0.37) ALDH1A1LMNATLR2TSHR

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 10 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

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 ALDH1A1 1605/4885LMNA 2899/4885TLR2 1859/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 ALDH1A1 876/4885LMNA 2190/4885TLR2 1161/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 ALDH1A1 1605/4885LMNA 2899/4885TLR2 1859/4885

“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.

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