SCHEMBL3734137

SCHEMBL3734137

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.49
CASP3 P42574 1/20 0.48
CASP1 P29466 2/20 0.47
SIRT2 Q8IXJ6 5/20 0.45
SIRT1 Q96EB6 4/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
SIRT3 Q9NTG7 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44

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
SCHEMBL3734259 0.93 TLR2 (0.46) TLR2CASP1SIRT2SIRT1MEN1
SCHEMBL3730584 0.91 PRKCA (0.52) TLR2SIRT2SIRT1SIRT3CTSL
SCHEMBL3731959 0.88 CASP1 (0.48) CASP3CASP1SIRT2SIRT1MEN1
SCHEMBL3732249 0.87 TLR2 (0.49) TLR2CASP3CASP1SIRT2SIRT1
SCHEMBL30708953 0.85 SMN1; SMN2 (0.50) TLR2ALDH1A1
SCHEMBL3729465 0.84 SIRT2 (0.48) SIRT2SIRT1MEN1ALDH1A1HPGD
SCHEMBL3734336 0.84 HTT (0.48) CASP3CASP1MEN1KMT2ACTSL
SCHEMBL3731860 0.84 PRKCA (0.52) TLR2SIRT2SIRT1SIRT3
SCHEMBL3728309 0.83 TLR2 (0.47) TLR2SIRT2SIRT1ALDH1A1SIRT3
SCHEMBL3731912 0.82 SIRT2 (0.44) CASP3CASP1SIRT2SIRT1MEN1

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 TLR2 1859/4885CASP3 306/4885CASP1 1232/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 TLR2 1161/4885CASP3 633/4885CASP1 102/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 TLR2 1859/4885CASP3 306/4885CASP1 1232/4885

“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.