SCHEMBL3733946

SCHEMBL3733946

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 5/20 0.43
MBOAT4 Q96T53 1/20 0.41
SIRT2 Q8IXJ6 5/20 0.40
SIRT1 Q96EB6 4/20 0.40
SIRT3 Q9NTG7 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL3738065 0.93 TLR2 (0.46) TLR2MBOAT4SIRT2SIRT1SIRT3
SCHEMBL3740450 0.91 TLR2 (0.46) TLR2MBOAT4SIRT2SIRT1SIRT3
SCHEMBL3735763 0.90 CTSD (0.42) TLR2MBOAT4SIRT2SIRT1SIRT3
SCHEMBL8134781 0.85 TLR2 (0.46) TLR2SIRT2SIRT1SIRT3CTSL
SCHEMBL3731860 0.84 PRKCA (0.52) TLR2SIRT2SIRT1SIRT3
SCHEMBL3728309 0.84 TLR2 (0.47) TLR2SIRT2SIRT1SIRT3CTSL
SCHEMBL3732249 0.82 TLR2 (0.49) TLR2SIRT2SIRT1SIRT3CTSL
SCHEMBL3732233 0.80 SIRT2 (0.48) MBOAT4SIRT2SIRT1SIRT3CTSL
SCHEMBL3727029 0.78 SIRT2 (0.39) MBOAT4SIRT2SIRT1SIRT3
SCHEMBL3729465 0.78 SIRT2 (0.48) SIRT2SIRT1SIRT3CTSLCTSB

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 1859/4885MBOAT4 2364/4885SIRT2 2519/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 TLR2 1161/4885MBOAT4 3505/4885SIRT2 3823/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 TLR2 1859/4885MBOAT4 2364/4885SIRT2 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.