SCHEMBL3739898

SCHEMBL3739898

CCCCCCCCCCCCCCCCCC(=O)OCCC(CC(C(=O)O)C(=O)OCC(C)(C)C(=O)OCI)OC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 7/20 0.40
SIRT1 Q96EB6 6/20 0.40
CAPN1 P07384 2/20 0.38
SIRT3 Q9NTG7 3/20 0.38
MBOAT4 Q96T53 1/20 0.37
TLR2 O60603 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP1 P29466 1/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL3727029 0.94 SIRT2 (0.39) SIRT2SIRT1CAPN1SIRT3MBOAT4
SCHEMBL3730435 0.93 SIRT2 (0.43) SIRT2SIRT1CAPN1SIRT3MBOAT4
SCHEMBL3729930 0.92 CTSD (0.39) SIRT2SIRT1CAPN1SIRT3MBOAT4
SCHEMBL3738065 0.78 TLR2 (0.46) SIRT2SIRT1SIRT3MBOAT4TLR2
SCHEMBL3740281 0.78 CTSB (0.50) CAPN1MEN1KMT2AELANE
SCHEMBL3728988 0.78 CTSB (0.50) CAPN1MEN1KMT2AELANE
SCHEMBL3730584 0.75 PRKCA (0.52) SIRT2SIRT1SIRT3TLR2
SCHEMBL3734137 0.74 TLR2 (0.49) SIRT2SIRT1SIRT3TLR2MEN1
SCHEMBL7782701 0.73 CYP3A4 (0.46) CAPN1MEN1KMT2AELANE
SCHEMBL3734259 0.72 TLR2 (0.46) SIRT2SIRT1SIRT3TLR2MEN1

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 6 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-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 (2 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 SIRT2 2519/4885SIRT1 3697/4885CAPN1 4636/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 SIRT2 2519/4885SIRT1 3697/4885CAPN1 4636/4885

“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.