SCHEMBL5996079

SCHEMBL5996079

COc1ccc(COC(=O)CCC(=O)OC(CCOC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)OC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
CTSD P07339 1/20 0.46
CTSK P43235 5/20 0.43
CTSL P07711 3/20 0.43
CTSS P25774 3/20 0.43
CTSB P07858 3/20 0.42
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
ACHE P22303 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TPSAB1 Q15661 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ELANE P08246 2/20 0.41
PRTN3 P24158 1/20 0.41
CA5A P35218 1/20 0.41

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
SCHEMBL3732247 0.89 CTSB (0.46) CTSKCTSLCTSSCTSBCA2
SCHEMBL3733932 0.85 CTSB (0.46) CTSKCTSLCTSSCTSBMEN1
SCHEMBL3726961 0.85 MEN1 (0.48) CTSKCTSLCTSSCTSBCA2
SCHEMBL6026683 0.84 ATM (0.50) ATMCTSDCTSKCTSLCTSS
SCHEMBL3733566 0.80 CYP3A4 (0.53) CTSKCTSLCTSSCTSBMEN1
SCHEMBL23750671 0.79 ATM (0.58) ATMCTSDCTSKCTSLCTSS
SCHEMBL3732044 0.79 ATM (0.58) ATMCTSDCTSKCTSLCTSS
SCHEMBL7104334 0.78 ATM (0.57) ATMCTSDCTSKCTSLCTSS
SCHEMBL7104331 0.78 ATM (0.57) ATMCTSDCTSKCTSLCTSS
SCHEMBL3731721 0.78 ATM (0.57) ATMCTSDCTSKCTSLCTSS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 ATM 4574/4885CTSD 1981/4885CTSK 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.