SCHEMBL3739862

SCHEMBL3739862

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.41
CTSS P25774 2/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
KLK5 Q9Y337 1/20 0.36
CYP2D6 P10635 1/20 0.35
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
PREP P48147 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3740734 0.93 CTSK (0.43) CTSKCTSSCA1CA2CA7
SCHEMBL3740268 0.91 CTSK (0.44) CTSKCTSSCA1CA2CA7
SCHEMBL3740265 0.91 CTSK (0.44) CTSKCTSSCA1CA2CA7
SCHEMBL3735157 0.89 CTSK (0.44) CTSKCTSSCA1CA2CA7
SCHEMBL3731815 0.84 CTSK (0.46) CTSKCTSSCA2TLR2TLR1
SCHEMBL3731812 0.84 CTSK (0.46) CTSKCTSSCA2TLR2TLR1
SCHEMBL3729786 0.82 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL13039839 0.82 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL18668909 0.82 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL25267488 0.81 CTSK (0.50) CTSKCTSSCA1CA2CA7

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 CTSK 1583/4885CTSS 1386/4885CA1 4299/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 CTSK 2547/4885CTSS 1913/4885CA1 3675/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 CTSK 1583/4885CTSS 1386/4885CA1 4299/4885

“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.