SCHEMBL3735895

SCHEMBL3735895

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.42
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.34
P2RY10 O00398 2/20 0.34
GPR174 Q9BXC1 2/20 0.34
PSMB5 P28074 1/20 0.34
DPP4 P27487 2/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
GLS O94925 1/20 0.33
FAP Q12884 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL528840 0.90 KDM4E (0.43) SLC7A5KDM4ELMNATSHRPSMB5
SCHEMBL7890746 0.90 SLC7A5 (0.38) SLC7A5KDM4ELMNATSHRP2RY10
SCHEMBL15148055 0.84 TSHR (0.50) SLC7A5SMN1; SMN2TSHRPSMB5DPP4
SCHEMBL10363386 0.84 TSHR (0.50) SLC7A5SMN1; SMN2TSHRPSMB5DPP4
SCHEMBL1515227 0.84 TSHR (0.50) SLC7A5SMN1; SMN2TSHRPSMB5DPP4
SCHEMBL13030933 0.82 SLC7A5 (0.42) SLC7A5CYP1A2TSHRPSMB5DPP4
SCHEMBL13030932 0.82 SLC7A5 (0.42) SLC7A5CYP1A2TSHRPSMB5DPP4
SCHEMBL8130196 0.79 SLC7A5 (0.37) SLC7A5TSHRPSMB5DPP4GLS
SCHEMBL19366854 0.78 MAPT (0.43) SLC7A5TSHRPSMB5DPP4GLS
SCHEMBL19681670 0.78 MAPT (0.43) SLC7A5TSHRPSMB5DPP4GLS

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 SLC7A5 833/4885CYP1A2 499/4885KDM4E 2715/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 SLC7A5 877/4885CYP1A2 274/4885KDM4E 4093/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 SLC7A5 833/4885CYP1A2 499/4885KDM4E 2715/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 SLC7A5 510/4885CYP1A2 443/4885KDM4E 942/4885

“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.