SCHEMBL3735324

SCHEMBL3735324

COc1ccc(COC(=O)C2CCC(OC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
CTSD P07339 1/20 0.48
FABP7 O15540 1/20 0.45
FABP5 Q01469 1/20 0.45
CCR1 P32246 1/20 0.45
CTSL P07711 4/20 0.44
CTSK P43235 4/20 0.44
CTSS P25774 3/20 0.44
CASP1 P29466 1/20 0.44
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
CASP6 P55212 1/20 0.44
CASP8 Q14790 1/20 0.44
CTSB P07858 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ACHE P22303 1/20 0.44
CAPN1 P07384 2/20 0.44

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
SCHEMBL3743912 0.87 CCR1 (0.47) CCR1CTSLCTSKCTSSCASP1
SCHEMBL3727301 0.87 CCR1 (0.52) CCR1CTSLCTSKCTSSCASP1
SCHEMBL3728112 0.86 ALDH1A1 (0.56) CCR1CTSLCTSKCTSSCASP1
SCHEMBL23750671 0.77 ATM (0.58) ATMCTSDCTSLCTSKCTSS
SCHEMBL3732044 0.77 ATM (0.58) ATMCTSDCTSLCTSKCTSS
SCHEMBL3729439 0.77 CTSL (0.56) CCR1CTSLCTSKCTSSCASP3
SCHEMBL7104334 0.77 ATM (0.57) ATMCTSDCTSLCTSKCTSS
SCHEMBL3731721 0.77 ATM (0.57) ATMCTSDCTSLCTSKCTSS
SCHEMBL7104331 0.77 ATM (0.57) ATMCTSDCTSLCTSKCTSS
SCHEMBL5711207 0.76 ATM (0.64) ATMCTSDCTSLCTSKCTSS

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 ATM 4574/4885CTSD 1981/4885FABP7 1767/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 ATM 4246/4885CTSD 3295/4885FABP7 1898/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 ATM 4574/4885CTSD 1981/4885FABP7 1767/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 ATM 4410/4885CTSD 3741/4885FABP7 4403/4885

“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.