SCHEMBL3728309

SCHEMBL3728309

CCCCCCCCCCCCCCCCCC(=O)OC(CBr)COC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 5/20 0.47
LPAR1 Q92633 3/20 0.46
SIRT2 Q8IXJ6 4/20 0.45
SIRT1 Q96EB6 2/20 0.45
SIRT3 Q9NTG7 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL3731860 0.91 PRKCA (0.52) TLR2SIRT2SIRT1SIRT3
SCHEMBL8134781 0.90 TLR2 (0.46) TLR2SIRT2SIRT1SIRT3CTSL
SCHEMBL3740450 0.87 TLR2 (0.46) TLR2SIRT2SIRT1SIRT3CTSB
SCHEMBL3732249 0.87 TLR2 (0.49) TLR2SIRT2SIRT1SIRT3CTSL
SCHEMBL3732233 0.87 SIRT2 (0.48) SIRT2SIRT1SIRT3CTSLCTSB
SCHEMBL3738065 0.84 TLR2 (0.46) TLR2SIRT2SIRT1SIRT3CTSL
SCHEMBL3729465 0.84 SIRT2 (0.48) LPAR1SIRT2SIRT1SIRT3CTSL
SCHEMBL3730584 0.84 PRKCA (0.52) TLR2SIRT2SIRT1SIRT3CTSL
SCHEMBL3733946 0.84 TLR2 (0.43) TLR2SIRT2SIRT1SIRT3CTSL
SCHEMBL30708953 0.83 SMN1; SMN2 (0.50) TLR2LPAR1ALDH1A1LMNA

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 1859/4885LPAR1 3299/4885SIRT2 2519/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 TLR2 1161/4885LPAR1 2253/4885SIRT2 3823/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 TLR2 1859/4885LPAR1 3299/4885SIRT2 2519/4885

“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.