SCHEMBL5547549

SCHEMBL5547549

CCC(CC)(CN)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.46
SMPD1 P17405 2/20 0.40
PDE3A Q14432 2/20 0.37
LMNA P02545 2/20 0.37
ADRB3 P13945 1/20 0.37
PDE4D Q08499 1/20 0.37
GABBR2 O75899 2/20 0.34
GABBR1 Q9UBS5 2/20 0.34
GGPS1 O95749 2/20 0.33
LAP3 P28838 1/20 0.33
GABRR1 P24046 1/20 0.33

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
SCHEMBL246809 0.83 FDPS (0.43) FDPSSMPD1LMNAGGPS1
SCHEMBL11511845 0.82 FDPS (0.52) FDPSSMPD1PDE3ALMNAADRB3
SCHEMBL6835461 0.76 FDPS (0.39) FDPSSMPD1LMNAGGPS1
SCHEMBL11041750 0.75 FDPS (0.38) FDPSSMPD1LMNAGGPS1LAP3
SCHEMBL2342024 0.74 FDPS (0.37) FDPSSMPD1LMNAGGPS1
SCHEMBL7612809 0.74 FDPS (0.37) FDPSLMNAGGPS1LAP3
SCHEMBL6896476 0.74 FDPS (0.54) FDPSSMPD1PDE3AGGPS1
SCHEMBL11168978 0.74 FDPS (0.54) FDPSSMPD1PDE3AGGPS1
SCHEMBL11474923 0.74 ALDH1A1 (0.38) FDPSSMPD1PDE3ALMNAADRB3
SCHEMBL457919 0.72 FDPS (0.64) FDPSSMPD1PDE3ALMNAADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509537-B9 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES INC (US) 2007-11-14 EP disclosed
EP-1509537-B1 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES INC (US) 2007-07-18 EP disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 WO disclosed
US-20060115815-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
US-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES, INC. 2004-06-24 US 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-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS FDPS 330/4885SMPD1 47/4885PDE3A 836/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS FDPS 330/4885SMPD1 47/4885PDE3A 836/4885

“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.