SCHEMBL3364675

SCHEMBL3364675

CC(O)OP(=O)(OC(C)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 2/20 0.47
CFTR P13569 1/20 0.43
CA2 P00918 3/20 0.43
CA4 P22748 3/20 0.43
CA5A P35218 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ESR1 P03372 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL4193997 0.83 L3MBTL1 (0.69) L3MBTL1ALDH1A1TDP1CFTRCA2
SCHEMBL778444 0.76 L3MBTL1 (0.50) L3MBTL1ALDH1A1TDP1CFTRCA2
SCHEMBL779222 0.75 L3MBTL1 (0.48) L3MBTL1ALDH1A1TDP1CFTRCA2
SCHEMBL4126407 0.75 L3MBTL1 (0.48) L3MBTL1ALDH1A1TDP1CFTRCA2
SCHEMBL31392361 0.75 LMNA (0.48) L3MBTL1ALDH1A1TDP1CFTRCA2
SCHEMBL777951 0.73 L3MBTL1 (0.47) L3MBTL1ALDH1A1TDP1CFTRCA2
SCHEMBL20704090 0.73 L3MBTL1 (0.62) L3MBTL1ALDH1A1TDP1CFTRCA2
SCHEMBL16428474 0.72 L3MBTL1 (0.48) L3MBTL1ALDH1A1TDP1CFTRCA2
SCHEMBL28740055 0.72 ANPEP (0.50) L3MBTL1ALDH1A1TDP1TSHR
SCHEMBL10380089 0.71 L3MBTL1 (0.52) L3MBTL1ALDH1A1TDP1CFTRCA2

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 9 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
EP-1711617-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-10-18 EP disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 WO disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO 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 (3 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 L3MBTL1 807/4885ALDH1A1 3361/4885TDP1 554/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS L3MBTL1 2133/4885ALDH1A1 3232/4885TDP1 1526/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 L3MBTL1 837/4885ALDH1A1 3337/4885TDP1 607/4885

“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.