SCHEMBL3728114

SCHEMBL3728114

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 10/20 0.49
KMT2A Q03164 1/20 0.48
CASP3 P42574 3/20 0.46
TNF P01375 2/20 0.44
PTPN1 P18031 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
SCHEMBL3727489 0.87 TLR2 (0.49) TLR2KMT2ACASP3TNF
SCHEMBL3731754 0.84 TNF (0.44) TLR2KMT2ACASP3TNFPTPN1
SCHEMBL3731741 0.84 KMT2A (0.49) TLR2KMT2ACASP3TNFPTPN1
SCHEMBL3734492 0.82 CASP3 (0.45) TLR2KMT2ACASP3TNF
SCHEMBL3731800 0.82 CASP3 (0.50) TLR2KMT2ACASP3TNF
SCHEMBL3727553 0.80 TNF (0.44) TLR2KMT2ACASP3TNF
SCHEMBL5995358 0.80 TNF (0.47) TLR2KMT2ACASP3TNF
SCHEMBL3737135 0.80 CASP3 (0.51) TLR2KMT2ACASP3TNF
SCHEMBL14964431 0.80 TLR2 (0.50) TLR2KMT2ACASP3TNF
SCHEMBL3727578 0.79 TLR2 (0.50) TLR2KMT2ACASP3TNF

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 1859/4885KMT2A 3465/4885CASP3 306/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 TLR2 1161/4885KMT2A 4375/4885CASP3 633/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 TLR2 1859/4885KMT2A 3465/4885CASP3 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.