SCHEMBL3732247

SCHEMBL3732247

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCCC(OC(=O)CCC(=O)O)OC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.46
CTSL P07711 4/20 0.46
CTSK P43235 3/20 0.46
CTSS P25774 3/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CASP3 P42574 2/20 0.44
CAPN1 P07384 1/20 0.43
ELANE P08246 2/20 0.42
PRTN3 P24158 1/20 0.42
ECE1 P42892 2/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
MME P08473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42

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
SCHEMBL3733932 0.94 CTSB (0.46) CTSBCTSLCTSKCTSSMEN1
SCHEMBL3726961 0.92 MEN1 (0.48) CTSBCTSLCTSKCTSSMEN1
SCHEMBL3733566 0.91 CYP3A4 (0.53) CTSBCTSLCTSKCTSSMEN1
SCHEMBL5996079 0.89 ATM (0.48) CTSBCTSLCTSKCTSSMEN1
SCHEMBL3727363 0.85 CYP3A4 (0.52) CTSBCTSLCTSKCTSSMEN1
SCHEMBL3725788 0.83 CTSB (0.56) CTSBCTSLCTSKCTSSMEN1
SCHEMBL3734341 0.83 CTSB (0.49) CTSBCTSLCTSKCTSSMEN1
SCHEMBL8127647 0.83 CTSB (0.49) CTSBCTSLCTSKCTSSMEN1
SCHEMBL3734873 0.83 CYP3A4 (0.55) CTSBCTSLCTSKCTSSMEN1
SCHEMBL3730563 0.83 CASP3 (0.49) KMT2ACASP3

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 CTSB 1150/4885CTSL 756/4885CTSK 1583/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 CTSB 1674/4885CTSL 483/4885CTSK 2547/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 CTSB 1150/4885CTSL 756/4885CTSK 1583/4885

“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.