Sugi Predict

Sugi Predict / Compounds / SCHEMBL3735763

SCHEMBL3735763

SCHEMBL3735763

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)CC(C)(C)C(=O)OCc1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.42
▸ TLR2 O60603 5/20 0.42
▸ ATM Q13315 1/20 0.41
▸ MBOAT4 Q96T53 1/20 0.41
▸ SIRT2 Q8IXJ6 2/20 0.40
▸ SIRT1 Q96EB6 2/20 0.40
▸ SIRT3 Q9NTG7 1/20 0.40
▸ CTSK P43235 2/20 0.38
▸ CTSB P07858 1/20 0.38
▸ PSMB11 A5LHX3 1/20 0.38
▸ PSMA7 O14818 1/20 0.38
▸ PSMB1 P20618 1/20 0.38
▸ PSMA1 P25786 1/20 0.38
▸ PSMA2 P25787 1/20 0.38
▸ PSMA3 P25788 1/20 0.38
▸ PSMA4 P25789 1/20 0.38
▸ PSMB8 P28062 1/20 0.38
▸ PSMB9 P28065 1/20 0.38
▸ PSMA5 P28066 1/20 0.38
▸ PSMB4 P28070 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 0.91 TLR2 (0.46) TLR2MBOAT4SIRT2SIRT1SIRT3
SCHEMBL3733946 0.90 TLR2 (0.43) TLR2MBOAT4SIRT2SIRT1SIRT3
SCHEMBL3740450 0.89 TLR2 (0.46) TLR2MBOAT4SIRT2SIRT1SIRT3
SCHEMBL3731860 0.83 PRKCA (0.52) TLR2SIRT2SIRT1SIRT3
SCHEMBL3733642 0.82 CTSD (0.49) CTSDATMCTSKCTSBPSMB11
SCHEMBL3728309 0.82 TLR2 (0.47) TLR2SIRT2SIRT1SIRT3CTSK
SCHEMBL8134781 0.81 TLR2 (0.46) TLR2SIRT2SIRT1SIRT3CTSK
SCHEMBL3729930 0.79 CTSD (0.39) CTSDATMMBOAT4SIRT2SIRT1
SCHEMBL3736148 0.79 ATM (0.54) CTSDATMCTSKCTSBCTSL
SCHEMBL3732249 0.78 TLR2 (0.49) TLR2SIRT2SIRT1SIRT3CTSK

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 CTSD 1981/4885TLR2 1859/4885ATM 4574/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 CTSD 3295/4885TLR2 1161/4885ATM 4246/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 CTSD 1981/4885TLR2 1859/4885ATM 4574/4885

“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.