SCHEMBL4072647

SCHEMBL4072647

O=C(O)CCCO[PH](=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
SLC22A6 Q4U2R8 2/20 0.46
TSHR P16473 5/20 0.43
NFKB1 P19838 2/20 0.43
PMP22 Q01453 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CAMK2A Q9UQM7 1/20 0.40
GABRR3 A8MPY1 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
HDAC3 O15379 1/20 0.39
GABBR2 O75899 1/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRR1 P24046 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRR2 P28476 1/20 0.39

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
SCHEMBL11480746 0.98 LMNA (0.43) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL11472255 0.91 ALDH1A1 (0.48) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL2098448 0.91 ALDH1A1 (0.54) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL3073339 0.85
SCHEMBL4072646 0.83 LMNA (0.48) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL11088981 0.83 LMNA (0.38) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL11087712 0.83 LMNA (0.38) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL11197727 0.81 LMNA (0.46) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL1070729 0.79
SCHEMBL902387 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664046-B1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2009-06-17 EP disclosed
US-7462721-B2 Aza-quinolinol phosphonate integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
US-20080153783-A1 Pyrimidyl Phosphonate Antiviral Compounds and Methods of Use GILEAD SCIENCES, INC. (US) 2008-06-26 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds JIN HAOLUN 2007-08-09 US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 EP disclosed
EP-1711476-A2 PYRIMIDYL PHOSPHONATE ANTIVIRAL COMPOUNDS AND METHODS OF USE GILEAD SCIENCES, INC. (US) 2006-10-18 EP disclosed
EP-1664046-A1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-06-07 EP disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
US-20050282839-A1 Pyrimidyl phosphonate antiviral compounds and methods of use GILEAD SCIENCES, INC. 2005-12-22 US disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 WO disclosed
WO-2005070901-A2 PYRIMIDYL PHOSPHONATE ANTIVIRAL COMPOUNDS AND METHODS OF USE GILEAD SCIENCES, INC. (US) 2005-08-04 WO disclosed
US-20050137199-A1 Inhibition of HiV integrase compounds GILEAD SCIENCES, INC. 2005-06-23 US disclosed
WO-2005028478-A1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-03-31 WO disclosed
US-20040097562-A1 Method for treating tension-type headache HEAD EXPLORER APS (DK) 2004-05-20 US disclosed
EP-0010366-B1 SOLID ORGANOMETALLIC INORGANIC POLYMERS AND THEIR APPLICATION OCCIDENTAL RESEARCH CORPORATION (US) 1983-02-16 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 (7 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-20080153783-A1 Pyrimidyl Phosphonate Antiviral Compounds and Methods of Use TYMP, MTAP, PNP LMNA 3062/4885SLC22A6 3925/4885TSHR 4483/4885
US-20050137199-A1 Inhibition of HiV integrase compounds CDKL5, CDKL1, CDKL3 LMNA 680/4885SLC22A6 4176/4885TSHR 4115/4885
US-20050282839-A1 Pyrimidyl phosphonate antiviral compounds and methods of use TYMP, MTAP, PNP LMNA 3062/4885SLC22A6 3925/4885TSHR 4483/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE LMNA 2126/4885SLC22A6 3268/4885TSHR 4778/4885
US-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds CDKL5, CDKL1, CDKL3 LMNA 1002/4885SLC22A6 3846/4885TSHR 3990/4885
US-20040097562-A1 Method for treating tension-type headache GRIN3A, GRIN2A, GRIK4 LMNA 2602/4885SLC22A6 1768/4885TSHR 1186/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE LMNA 2126/4885SLC22A6 3268/4885TSHR 4778/4885

“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.