SCHEMBL3740295

SCHEMBL3740295

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc(CCC(=O)OCCl)cc1OC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CTSL P07711 3/20 0.44
CTSB P07858 3/20 0.44
CTSK P43235 3/20 0.44
CTSS P25774 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CAPN1 P07384 1/20 0.42
CCR1 P32246 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD1 P21728 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 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
SCHEMBL7790683 0.97 CASP1 (0.46) CASP1CA1CA2CA5ACTSL
SCHEMBL3734188 0.89 FFAR4 (0.49) CASP1CA1CA2CA5ACTSL
SCHEMBL3727193 0.89 CTSD (0.49) CASP1CA1CA2CA5ACTSL
SCHEMBL7787410 0.88 CASP1 (0.44) CASP1CA1CA2CA5ACTSL
SCHEMBL3740038 0.81 CTSL (0.50) CA2CA5ACTSLCTSBCTSK
SCHEMBL7791790 0.81 CTSL (0.48) CASP1CA1CTSLCTSBCTSK
SCHEMBL3728055 0.80 CTSL (0.53) CASP1CTSLCTSBCTSKCTSS
SCHEMBL3725680 0.80 CTSB (0.51) CA2CA5ACTSLCTSBCTSK
SCHEMBL3738798 0.80 CTSL (0.47) CASP1CA2CA5ACTSLCTSB
SCHEMBL7791929 0.79 CTSD (0.44) CASP1CTSLCTSKCTSSCTSD

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 12 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
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors AB, Medivir (SE) 2002-09-12 US disclosed
EP-1121366-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 2001-08-08 EP disclosed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP disclosed
WO-1999051613-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 1999-10-14 WO disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 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 (4 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 CASP1 1232/4885CA1 4299/4885CA2 4301/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 CASP1 102/4885CA1 3675/4885CA2 4472/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 CASP1 1232/4885CA1 4299/4885CA2 4301/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 CASP1 1199/4885CA1 3137/4885CA2 1486/4885

“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.