SCHEMBL3365606

SCHEMBL3365606

CC(C)(C)OC(=O)NCCC1(c2ccccc2OCc2ccccc2)CO1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
CNR2 P34972 1/20 0.48
BRD4 O60885 2/20 0.44
IDO1 P14902 1/20 0.43
SYK P43405 1/20 0.41
PRKCA P17252 1/20 0.40
DRD2 P14416 4/20 0.40
SIGMAR1 Q99720 2/20 0.40
MAPT P10636 1/20 0.39
EDNRA P25101 1/20 0.39
PDK2 Q15119 1/20 0.39
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.38
HDAC1 Q13547 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38

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
SCHEMBL3291050 0.83 HDAC1 (0.46) BCHECNR2IDO1SYKMAPT
SCHEMBL6700322 0.79 BCHE (0.41) BCHECNR2IDO1SYKSIGMAR1
SCHEMBL7778567 0.76 KDM4E (0.55) BCHECNR2IDO1SYKSIGMAR1
SCHEMBL25156397 0.76 PPARA (0.43) CNR2BRD4SYKPRKCASGMS2
SCHEMBL8540588 0.75 NQO2 (0.53) BCHECNR2BRD4IDO1SYK
SCHEMBL8821227 0.75 SCN9A (0.51) BCHECNR2IDO1SYKMAPT
SCHEMBL3922652 0.74 BCHE (0.47) BCHECNR2IDO1DRD2MAPT
SCHEMBL495995 0.74 MMP13 (0.39) BRD4IDO1DRD2MAPTPDK2
SCHEMBL3363590 0.74 MIF (0.47) IDO1DRD2PDK2NPSR1
SCHEMBL31480812 0.73 SYK (0.51) IDO1SYKSIGMAR1MAPTNPFFR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 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 (2 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-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP BCHE 750/4885CNR2 4873/4885BRD4 3237/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 BCHE 707/4885CNR2 4874/4885BRD4 3288/4885

“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.