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SCHEMBL3741190

SCHEMBL3741190

CCC(C)C(N)C(=O)OC(CC(=O)OC(C)(C)C)C(OC(=O)C(N)C(C)CC)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.35
▸ NOS1 P29475 2/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ DPP4 P27487 1/20 0.30
▸ DPP8 Q6V1X1 1/20 0.30
▸ DPP9 Q86TI2 1/20 0.30

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
SCHEMBL3741194 1.00 CYP2D6 (0.35) CYP2D6NOS1NOS3NOS2MMP1
SCHEMBL8136009 0.96 CYP2D6 (0.36) CYP2D6NOS1NOS3NOS2MMP1
SCHEMBL8136012 0.96 CYP2D6 (0.36) CYP2D6NOS1NOS3NOS2MMP1
SCHEMBL3739635 0.89 CYP2D6 (0.40) CYP2D6NOS1NOS3NOS2MMP1
SCHEMBL3739638 0.89 CYP2D6 (0.40) CYP2D6NOS1NOS3NOS2MMP1
SCHEMBL3727783 0.86 MMP1 (0.36) MMP1MMP2MMP3MMP9MMP13
SCHEMBL3727785 0.86 MMP1 (0.36) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8136016 0.86 CYP2D6 (0.36) CYP2D6NOS1NOS3NOS2HDAC3
SCHEMBL3729739 0.84 CYP2D6 (0.37) CYP2D6NOS1NOS3NOS2CTSS
SCHEMBL3729743 0.84 CYP2D6 (0.37) CYP2D6NOS1NOS3NOS2CTSS

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 7 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

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 CYP2D6 154/4885NOS1 2797/4885NOS3 1752/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 CYP2D6 164/4885NOS1 785/4885NOS3 1907/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 CYP2D6 154/4885NOS1 2797/4885NOS3 1752/4885

“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.