SCHEMBL3729371

SCHEMBL3729371

COc1ccc(COC(=O)c2ccc(=O)n(CCOC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.46
ATM Q13315 1/20 0.46
CTSK P43235 4/20 0.43
CTSS P25774 3/20 0.43
CTSL P07711 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
IL1RN P18510 1/20 0.42
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.41
CTSB P07858 3/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL3727821 0.89 MEN1 (0.45) CTSKCTSSCTSLMEN1KMT2A
SCHEMBL3739447 0.89 MEN1 (0.45) CTSKCTSSCTSLMEN1KMT2A
SCHEMBL3732282 0.87 MEN1 (0.48) CTSKCTSSCTSLMEN1KMT2A
SCHEMBL3732038 0.83 ATM (0.51) CTSDATMCTSKCTSSCTSL
SCHEMBL3726974 0.82 CYP3A4 (0.54) CTSKCTSSCTSLMEN1KMT2A
SCHEMBL3740465 0.80 ATM (0.55) CTSDATMCTSKCTSSCTSL
SCHEMBL7691983 0.79 CYP3A4 (0.50) CTSKCTSSCTSLMEN1KMT2A
SCHEMBL7860490 0.77 ATM (0.45) CTSDATMCTSKCTSSCTSL
SCHEMBL3728798 0.76 ALDH1A1 (0.46) MEN1KMT2AALDH1A1TSHRRAB9A
SCHEMBL3725477 0.75 ATM (0.51) CTSDATMCTSKCTSSCTSL

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 14 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
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors AB, Medivir (SE) 2002-09-12 US disclosed
EP-1150956-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2001-11-07 EP disclosed
EP-1121366-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 2001-08-08 EP disclosed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP disclosed
WO-2000047561-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2000-08-17 WO disclosed
WO-1999051613-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 1999-10-14 WO disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 WO 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 (4 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 4574/4885CTSK 1583/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 CTSD 3295/4885ATM 4246/4885CTSK 2547/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 CTSD 1981/4885ATM 4574/4885CTSK 1583/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 CTSD 3741/4885ATM 4410/4885CTSK 3753/4885

“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.