SCHEMBL3364720

SCHEMBL3364720

CCOC(=O)C(C)O[PH](=O)OC(C)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TRPA1 O75762 1/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.33
PIN1 Q13526 1/20 0.32
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
CAD P27708 1/20 0.32

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
SCHEMBL11583079 0.94 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL9621808 0.84 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL18683749 0.83 CYP3A4 (0.33) ALDH1A1LMNAHSD17B10GAAL3MBTL1
Butane SCHEMBL11580669 0.81 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL16119501 0.80 TDP1 (0.33) ALDH1A1L3MBTL1TSHR
SCHEMBL16119514 0.78 KMT2A (0.35) KMT2A
SCHEMBL14042946 0.78 LMNA (0.48) ALDH1A1LMNAL3MBTL1KMT2AHPGD
SCHEMBL11263531 0.77 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10
SCHEMBL11697754 0.76 SMN1; SMN2 (0.41) ALDH1A1KMT2A
SCHEMBL3892274 0.76

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 24 patents — showing the first 20. 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
CN-101074242-A Cells accumulation for sphosphonate analogs of HIV protease inhibitor compound and the same compound GILEAD SCIENCES INC (US) 2007-11-21 CN disclosed
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
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US 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
CN-1313472-C Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds GILEAD SCIENCES INC (US) 2007-05-02 CN disclosed
EP-1575486-A4 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2007-02-28 EP 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
EP-1575486-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-09-21 EP disclosed
CN-1649885-A Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds GILEAD SCIENCES INC (US) 2005-08-03 CN 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-2004096818-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
US-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES, INC. 2004-06-24 US 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
WO-2003090691-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
EP-0318392-B1 N-(VINBLASTINOYL-23)DERIVATIVES OF 1-AMINO METHYLPHOSPHONIC ACIDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1992-04-15 EP disclosed
EP-0318392-A1 N-(vinblastinoyl-23)derivatives of 1-amino methylphosphonic acids, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1989-05-31 EP 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 ALDH1A1 3232/4885LMNA 3295/4885HSD17B10 156/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 ALDH1A1 3337/4885LMNA 2720/4885HSD17B10 1703/4885

“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.