SCHEMBL3734188

SCHEMBL3734188

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
CTSL P07711 3/20 0.47
CTSB P07858 3/20 0.47
CTSK P43235 3/20 0.47
CTSS P25774 2/20 0.47
FFAR1 O14842 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CTSD P07339 1/20 0.46
CASP3 P42574 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CASP1 P29466 1/20 0.45
ADRB2 P07550 1/20 0.45
ADRA2A P08913 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD1 P21728 1/20 0.45

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 0.92 CASP1 (0.46) FFAR4CA1CA2CA5ACTSL
SCHEMBL3728055 0.91 CTSL (0.53) FFAR4CTSLCTSBCTSKCTSS
SCHEMBL3740295 0.89 CASP1 (0.46) CA1CA2CA5ACTSLCTSB
SCHEMBL7787424 0.89 CTSD (0.49) CTSLCTSBCTSKCTSSMEN1
SCHEMBL3727193 0.87 CTSD (0.49) CA1CA2CA5ACTSLCTSB
SCHEMBL7787410 0.86 CASP1 (0.44) CA1CA2CA5ACTSLCTSB
SCHEMBL3727195 0.81 CTSD (0.53) CTSLCTSBCTSKCTSSMEN1
SCHEMBL11795571 0.80 KDM4E (0.52) CA1CA2CA5ACTSLCTSB
SCHEMBL7791929 0.80 CTSD (0.44) CTSLCTSKCTSSCTSDCASP1
SCHEMBL7791790 0.79 CTSL (0.48) CA1CTSLCTSBCTSKCTSS

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 14 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-1150956-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2001-11-07 EP 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-2000047561-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2000-08-17 WO 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 FFAR4 2019/4885CA1 4299/4885CA2 4301/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 FFAR4 2103/4885CA1 3675/4885CA2 4472/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 FFAR4 2019/4885CA1 4299/4885CA2 4301/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 FFAR4 1554/4885CA1 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.