SCHEMBL3740424

SCHEMBL3740424

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
PKM P14618 1/20 0.50
CTSK P43235 3/20 0.49
CTSB P07858 2/20 0.49
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SRD5A2 P31213 1/20 0.48
ELANE P08246 2/20 0.47
PRTN3 P24158 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ITGB3 P05106 3/20 0.47
ITGA2B P08514 3/20 0.47
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47

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
SCHEMBL3727297 0.89 CA2 (0.53) CTSKCTSBCTSLCTSSELANE
SCHEMBL7860528 0.89 MAPT (0.47) CTSKCTSBCTSLCTSSMAPT
SCHEMBL3732038 0.88 ATM (0.51) CTSKCTSLCTSSMAPTL3MBTL1
SCHEMBL7860507 0.87 CA2 (0.52) CTSKCTSBCTSLCTSSELANE
SCHEMBL3731879 0.86 CTSL (0.53) NR4A1NR4A2NR4A3CTSKCTSB
SCHEMBL7675154 0.84 MAPT (0.43) CTSKCTSBCTSLCTSSMAPT
SCHEMBL3738178 0.82 MEN1 (0.48) CTSKCTSBCTSLCTSSELANE
SCHEMBL5898423 0.81 CTSK (0.57) NR4A1NR4A2NR4A3CTSKCTSB
SCHEMBL30016306 0.81 CTSL (0.55) CTSKCTSBCTSLCTSSL3MBTL1
SCHEMBL3736355 0.81 CTSB (0.57) CTSKCTSBCTSLCTSSELANE

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 NR4A1 2950/4885NR4A2 3318/4885NR4A3 2859/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 NR4A1 1166/4885NR4A2 2534/4885NR4A3 2196/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 NR4A1 2950/4885NR4A2 3318/4885NR4A3 2859/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 NR4A1 78/4885NR4A2 430/4885NR4A3 587/4885

“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.