SCHEMBL3729442

SCHEMBL3729442

CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCCC(OC(=O)CCCC(=O)O)OC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
CASP3 P42574 4/20 0.47
PTPN1 P18031 3/20 0.40
TLR2 O60603 2/20 0.40
PIK3CG P48736 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
SCHEMBL3730563 0.95 CASP3 (0.49) KMT2ACASP3PTPN1TLR2
SCHEMBL3727053 0.92 KMT2A (0.46) KMT2ACASP3PTPN1TLR2
SCHEMBL3729800 0.91 CASP3 (0.50) KMT2ACASP3PIK3CG
SCHEMBL3733937 0.87 CASP3 (0.43) KMT2ACASP3PTPN1TLR2
SCHEMBL3729767 0.86 KMT2A (0.57) KMT2ACASP3PTPN1TLR2
SCHEMBL3731741 0.84 KMT2A (0.49) KMT2ACASP3PTPN1TLR2
SCHEMBL3735847 0.84 CASP3 (0.57) KMT2ACASP3PTPN1TLR2
SCHEMBL3733932 0.83 CTSB (0.46) KMT2ACASP3
SCHEMBL3734370 0.83 CASP3 (0.44) KMT2ACASP3TLR2
SCHEMBL31163964 0.79 CASP3 (0.49) KMT2ACASP3PTPN1

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 7 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

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 KMT2A 3465/4885CASP3 306/4885PTPN1 3716/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 KMT2A 4375/4885CASP3 633/4885PTPN1 132/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 KMT2A 3465/4885CASP3 306/4885PTPN1 3716/4885

“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.