Sugi Predict

Sugi Predict / Compounds / SCHEMBL931367

SCHEMBL931367

SCHEMBL931367

N[C@@H](CC(O)(O)C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.44
▸ SLC7A11 Q9UPY5 1/20 0.44
▸ GSR P00390 2/20 0.43
▸ SLC1A1 P43005 4/20 0.41
▸ GRIK1 P39086 3/20 0.41
▸ SLC1A3 P43003 3/20 0.41
▸ SLC1A2 P43004 3/20 0.41
▸ GRIK2 Q13002 2/20 0.41
▸ GRM1 Q13255 2/20 0.41
▸ GRM2 Q14416 2/20 0.41
▸ SLC7A5 Q01650 1/20 0.41
▸ GRM8 O00222 1/20 0.41
▸ GRM6 O15303 1/20 0.41
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ GRIA1 P42261 1/20 0.41
▸ GRIA2 P42262 1/20 0.41
▸ GRIA3 P42263 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
SCHEMBL876424 0.79 PTGS1 (0.48) PTGS1SLC7A11GSRSLC1A1GRIK1
SCHEMBL13880037 0.79 PTGS1 (0.48) PTGS1SLC7A11GSRSLC1A1GRIK1
SCHEMBL1332891 0.76 GRIK1 (0.46) PTGS1SLC7A11GSRSLC1A1GRIK1
SCHEMBL127215 0.76 GRIK1 (0.46) PTGS1SLC7A11GSRSLC1A1GRIK1
SCHEMBL1236556 0.75 SLC7A5 (0.46) PTGS1SLC7A11GSRSLC1A1GRIK1
SCHEMBL25661908 0.75 SLC7A5 (0.46) PTGS1SLC7A11GSRSLC1A1GRIK1
SCHEMBL935820 0.75 SLC7A5 (0.46) PTGS1SLC7A11GSRSLC1A1GRIK1
SCHEMBL31215074 0.75 SLC7A5 (0.46) PTGS1SLC7A11GSRSLC1A1GRIK1
Hydrochloric Acid SCHEMBL14833478 0.73 PTGS1 (0.42) PTGS1SLC7A11GSRSLC1A1GRIK1
SCHEMBL5280926 0.73 PTGS1 (0.42) PTGS1SLC7A11GSRSLC1A1GRIK1

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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190345190-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-11-14 — — US disclosed
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-17 — — US disclosed
EP-1907403-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2013-12-25 — — EP disclosed
US-20120312717-A1 COMPOSITIONS, KITS AND REGIMENS FOR THE TREATMENT OF SKIN, ESPECIALLY DECOLLETAGE JR CHEM, LLC (US) 2012-12-13 — — US disclosed
CN-102471489-A Supramolecular polymers and compositions comprising said polymers RHODIA OPERATIONS 2012-05-23 — — CN disclosed
EP-2043658-B1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2012-04-25 — — EP disclosed
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 — — US disclosed
EP-1778702-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2011-07-13 — — EP disclosed
US-20110008271-A1 ROSACEA TREATMENTS USING POLYMETAL COMPLEXES JR CHEM, LLC (US) 2011-01-13 — — US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 — — US disclosed
WO-2004096285-A2 ANTI-INFECTIVE PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 — — WO disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 — — WO disclosed
WO-2004096818-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-11 — — WO disclosed
WO-2004096234-A2 KINASE INHIBITOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 — — WO disclosed
WO-2004096236-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES 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-2003090691-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2003-11-06 — — WO 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-2003091264-A2 NON NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2003-11-06 — — WO disclosed
US-20010041794-A1 Nucleotide analogs GILEAD SCIENCES, INC. 2001-11-15 — — 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 (5 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-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP PTGS1 4184/4885SLC7A11 3148/4885GSR 3871/4885
US-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS PTGS1 2951/4885SLC7A11 3347/4885GSR 469/4885
US-20010041794-A1 Nucleotide analogs PNP, NUDT1, TYMP PTGS1 2980/4885SLC7A11 1124/4885GSR 3205/4885
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA PTGS1 3560/4885SLC7A11 3534/4885GSR 4210/4885
US-20190345190-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA PTGS1 3560/4885SLC7A11 3534/4885GSR 4210/4885

“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.