SCHEMBL3727489

SCHEMBL3727489

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.49
TNF P01375 2/20 0.47
CASP3 P42574 3/20 0.46
KMT2A Q03164 1/20 0.46
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL3731754 0.91 TNF (0.44) TLR2TNFCASP3KMT2A
SCHEMBL3728114 0.87 TLR2 (0.49) TLR2TNFCASP3KMT2A
SCHEMBL7599890 0.87 CASP3 (0.52) TLR2CASP3KMT2AMDM4TP53
SCHEMBL3727578 0.84 TLR2 (0.50) TLR2TNFCASP3KMT2AMDM4
SCHEMBL3734492 0.84 CASP3 (0.45) TLR2TNFCASP3KMT2A
SCHEMBL3732233 0.83 SIRT2 (0.48) CASP3KMT2A
SCHEMBL3727553 0.82 TNF (0.44) TLR2TNFCASP3KMT2A
SCHEMBL5995358 0.82 TNF (0.47) TLR2TNFCASP3KMT2AMDM4
SCHEMBL7599437 0.81 CASP3 (0.46) TLR2CASP3KMT2AMDM4TP53
SCHEMBL3732236 0.80 CASP3 (0.53) TLR2CASP3KMT2AMDM4TP53

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 TLR2 1859/4885TNF 903/4885CASP3 306/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 TLR2 1161/4885TNF 1226/4885CASP3 633/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 TLR2 1859/4885TNF 903/4885CASP3 306/4885

“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.