Sugi Predict

Sugi Predict / Compounds / SCHEMBL3729930

SCHEMBL3729930

SCHEMBL3729930

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ SIRT2 Q8IXJ6 3/20 0.38
▸ SIRT1 Q96EB6 2/20 0.38
▸ SIRT3 Q9NTG7 1/20 0.37
▸ ITGB3 P05106 5/20 0.37
▸ ITGA2B P08514 5/20 0.37
▸ MBOAT4 Q96T53 1/20 0.37
▸ CAPN1 P07384 1/20 0.36
▸ CTSK P43235 2/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSL P07711 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ PRSS1 P07477 2/20 0.35
▸ PRSS2 P07478 2/20 0.35
▸ PRSS3 P35030 2/20 0.35
▸ TPSAB1 Q15661 2/20 0.35
▸ PSMB11 A5LHX3 1/20 0.35
▸ PSMA7 O14818 1/20 0.35
▸ PSMB1 P20618 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
SCHEMBL3739898 0.92 SIRT2 (0.40) SIRT2SIRT1SIRT3MBOAT4CAPN1
SCHEMBL3727029 0.91 SIRT2 (0.39) SIRT2SIRT1SIRT3MBOAT4CAPN1
SCHEMBL3730435 0.90 SIRT2 (0.43) SIRT2SIRT1SIRT3MBOAT4CAPN1
SCHEMBL3735763 0.79 CTSD (0.42) CTSDATMSIRT2SIRT1SIRT3
SCHEMBL3736148 0.79 ATM (0.54) CTSDATMCTSKCTSBCTSL
SCHEMBL3735186 0.73 CYP3A4 (0.54) CTSDATMCTSKCTSBCTSL
SCHEMBL3730584 0.72 PRKCA (0.52) SIRT2SIRT1SIRT3CTSKCTSB
SCHEMBL3726951 0.72 ATM (0.50) CTSDATMITGB3ITGA2BCTSK
SCHEMBL3734137 0.72 TLR2 (0.49) SIRT2SIRT1SIRT3CTSBCTSL
SCHEMBL6026683 0.71 ATM (0.50) CTSDATMCAPN1CTSKCTSB

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-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 1981/4885ATM 4574/4885SIRT2 2519/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 CTSD 3295/4885ATM 4246/4885SIRT2 3823/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 CTSD 1981/4885ATM 4574/4885SIRT2 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.