SCHEMBL3738178

SCHEMBL3738178

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCCOc1ccc(C(=O)O)c(CI)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CTSB P07858 2/20 0.43
CTSK P43235 2/20 0.43
CTSL P07711 2/20 0.43
CTSS P25774 2/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
CA1 P00915 1/20 0.42
ELANE P08246 3/20 0.42
PRTN3 P24158 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
ATM Q13315 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
SCHEMBL3729617 0.92 CYP3A4 (0.50) MEN1KMT2ACTSBCTSKCTSL
SCHEMBL7669423 0.83 RAB9A (0.42) MEN1KMT2ACTSBCTSKCTSL
SCHEMBL3740424 0.82 NR4A1 (0.51) MEN1KMT2ACTSBCTSKCTSL
SCHEMBL13039822 0.76 CTSB (0.52) MEN1KMT2ACTSBCTSKCTSL
SCHEMBL3729761 0.76 CTSB (0.52) MEN1KMT2ACTSBCTSKCTSL
SCHEMBL7860528 0.76 MAPT (0.47) MEN1KMT2ACTSBCTSKCTSL
SCHEMBL2150884 0.76 CTSB (0.58) MEN1KMT2ACTSBCTSKCTSL
SCHEMBL22685692 0.76 CTSB (0.58) MEN1KMT2ACTSBCTSKCTSL
SCHEMBL2150881 0.76 CTSB (0.58) MEN1KMT2ACTSBCTSKCTSL
SCHEMBL3732038 0.75 ATM (0.51) CTSKCTSLCTSSCA2CA5A

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-1150956-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2001-11-07 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-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 MEN1 4607/4885KMT2A 3465/4885CTSB 1150/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 MEN1 2310/4885KMT2A 4375/4885CTSB 1674/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 MEN1 4607/4885KMT2A 3465/4885CTSB 1150/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 MEN1 4684/4885KMT2A 738/4885CTSB 3486/4885

“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.