SCHEMBL6474938

SCHEMBL6474938

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(COC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.56
CTSB P07858 4/20 0.54
CTSL P07711 4/20 0.54
CTSK P43235 3/20 0.54
CTSS P25774 3/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ELANE P08246 2/20 0.49
PRTN3 P24158 1/20 0.49
ATM Q13315 1/20 0.49
CASP1 P29466 2/20 0.48
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
CASP7 P55210 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL3731959 0.88 CASP1 (0.48) CASP3CTSBCTSLCTSKCTSS
SCHEMBL3727286 0.87 CTSB (0.50) CASP3CTSBCTSLCTSKCTSS
SCHEMBL13039821 0.87 CTSB (0.50) CASP3CTSBCTSLCTSKCTSS
SCHEMBL7520591 0.87 CTSB (0.49) CASP3CTSBCTSLCTSKCTSS
SCHEMBL24556965 0.87 CTSK (0.58) CASP3CTSBCTSLCTSKCTSS
SCHEMBL3732500 0.86 CTSL (0.57) CASP3CTSBCTSLCTSKCTSS
SCHEMBL3731639 0.85 CTSB (0.56) CASP3CTSBCTSLCTSKCTSS
SCHEMBL6485735 0.84 CTSB (0.51) CASP3CTSBCTSLCTSKCTSS
SCHEMBL7855067 0.84 CTSB (0.55) CASP3CTSBCTSLCTSKCTSS
SCHEMBL7689129 0.84 CTSB (0.55) CASP3CTSBCTSLCTSKCTSS

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-6974802-B2 Treatment of viral infections using prodrugs of 2′,3-dideoxy,3′-fluoroguanosine MEDIVIR AB (SE) 2005-12-13 US disclosed
US-6458772-B1 Prodrugs MEDIVIR AB (SE) 2002-10-01 US disclosed
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors AB, Medivir (SE) 2002-09-12 US disclosed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 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
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 WO 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

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-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 CASP3 3504/4885CTSB 3486/4885CTSL 1476/4885

“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.