SCHEMBL3731683

SCHEMBL3731683

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(O)CO

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.54
CTSB P07858 4/20 0.54
CTSL P07711 4/20 0.54
CTSS P25774 3/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ELANE P08246 2/20 0.49
PRTN3 P24158 1/20 0.49
ATM Q13315 1/20 0.49
CCR1 P32246 1/20 0.48
CTSD P07339 1/20 0.48
CASP3 P42574 2/20 0.48
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48

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
SCHEMBL27471193 1.00 CTSK (0.54) CTSKCTSBCTSLCTSSMEN1
SCHEMBL3732500 0.94 CTSL (0.57) CTSKCTSBCTSLCTSSMEN1
SCHEMBL3733895 0.89 CTSL (0.53) CTSKCTSBCTSLCTSSMEN1
SCHEMBL7855067 0.89 CTSB (0.55) CTSKCTSBCTSLCTSSMEN1
SCHEMBL24556965 0.87 CTSK (0.58) CTSKCTSBCTSLCTSSMEN1
SCHEMBL3731639 0.85 CTSB (0.56) CTSKCTSBCTSLCTSSMEN1
SCHEMBL7689129 0.84 CTSB (0.55) CTSKCTSBCTSLCTSSMEN1
SCHEMBL3736355 0.83 CTSB (0.57) CTSKCTSBCTSLCTSSMEN1
SCHEMBL24596987 0.83 CTSB (0.59) CTSKCTSBCTSLCTSSMEN1
SCHEMBL14595222 0.83 CTSB (0.59) CTSKCTSBCTSLCTSSMEN1

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 13 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
EP-1123935-A2 3'-Fluorinated guanosine derivatives for the treatment or prophylaxis of HBV or retroviral infections MEDIVIR AB (SE) 2001-08-16 EP disclosed
EP-0988304-B1 NUCLEOSIDES ANALOGUES, SUCH AS ANTIVIRALS INCLUDING INHIBITORS OF RETROVIRAL REVERSE TRANSCRIPTASE AND THE DNA POLYMERASE OF HEPATITIS B VIRUS (HBV) MEDIVIR AB (SE) 2001-05-02 EP disclosed
EP-0988304-A1 NUCLEOSIDES ANALOGUES, SUCH AS ANTIVIRALS INCLUDING INHIBITORS OF RETROVIRAL REVERSE TRANSCRIPTASE AND THE DNA POLYMERASE OF HEPATITIS B VIRUS (HBV) MEDIVIR AB (SE) 2000-03-29 EP disclosed
EP-0942916-A2 NUCLEOSIDES Medivir Aktiebolag (SE) 1999-09-22 EP disclosed
WO-1999009031-A1 NUCLEOSIDES ANALOGUES, SUCH AS ANTIVIRALS INCLUDING INHIBITORS OF RETROVIRAL REVERSE TRANSCRIPTASE AND THE DNA POLYMERASE OF HEPATITIS B VIRUS (HBV) MEDIVIR AB (SE) 1999-02-25 WO disclosed
WO-1998021223-A1 NUCLEOSIDES MEDIVIR AB (SE) 1998-05-22 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 (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 CTSK 1583/4885CTSB 1150/4885CTSL 756/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 CTSK 2547/4885CTSB 1674/4885CTSL 483/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 CTSK 1583/4885CTSB 1150/4885CTSL 756/4885

“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.