SCHEMBL878441

SCHEMBL878441

CON[C@@H](C)C(=O)OP(=O)(O)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 8/20 0.43
SRC P12931 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ANPEP P15144 1/20 0.40
LAP3 P28838 1/20 0.40
ELANE P08246 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.38
ACP3 P15309 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL858403 0.87 BTN3A1 (0.40) BTN3A1SRCANPEPLAP3ELANE
SCHEMBL877722 0.87 TDP1 (0.41) BTN3A1SRCALDH1A1ANPEPLAP3
SCHEMBL6708631 0.86 LMNA (0.42) ALDH1A1TDP1KDM4E
SCHEMBL643837 0.84 BTN3A1 (0.40) BTN3A1SRCANPEPLAP3ELANE
SCHEMBL5996997 0.84 BTN3A1 (0.40) BTN3A1SRCANPEPLAP3ELANE
SCHEMBL30662658 0.84 KDM4E (0.42) BTN3A1SRCALDH1A1ANPEPLAP3
SCHEMBL19668167 0.84 POLB (0.40) BTN3A1SRCALDH1A1ANPEPLAP3
SCHEMBL7807907 0.83 KMT2A (0.40) BTN3A1ALDH1A1HTTKDM4EL3MBTL1
SCHEMBL29779150 0.83 ELANE (0.49) BTN3A1ALDH1A1ANPEPLAP3ELANE
SCHEMBL27710787 0.83 ELANE (0.49) BTN3A1ALDH1A1ANPEPLAP3ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040126-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 WO disclosed
EP-1594976-A4 ARYL PHOSPHATE DERIVATIVES OF d4T HAVING ACTIVITY AGAINST RESISTANT HIV STRAINS PARKER HUGHES INST (US) 2007-11-07 EP disclosed
US-20070015733-A1 Aryl Phosphate Derivatives of d4T having Activity Against Resistant HIV Strains PARKER HUGHES INSTITUTE (US) 2007-01-18 US disclosed
US-20060293285-A1 Aryl Phosphate Derivatives of d4T PARKER HUGHES INSTITUTE (US) 2006-12-28 US disclosed
US-7144874-B2 Aryl phosphate derivatives of d4T having activity against resistant HIV strains PARKER HUGHES INSTITUTE (US) 2006-12-05 US disclosed
US-7071176-B2 Aryl phosphate derivatives of AZT having anti-HIV activity PARKER HUGHES INSTITUTE (US) 2006-07-04 US disclosed
US-20050277620-A1 Aryl phosphate derivatives of d4T PARKER HUGHES INSTITUTE (US) 2005-12-15 US disclosed
EP-1594976-A2 ARYL PHOSPHATE DERIVATIVES OF d4T HAVING ACTIVITY AGAINST RESISTANT HIV STRAINS Parker Hughes Institute (US) 2005-11-16 EP disclosed
EP-1334108-B1 ARYL PHOSPHATE DERIVATIVES OF d4T PARKER HUGHES INST (US) 2005-06-15 EP disclosed
EP-1090018-B1 ARYL PHOSPHATE DERIVATIVES OF d4T HAVING ANTI-HIV ACTIVITY PARKER HUGHES INST (US) 2004-09-29 EP disclosed
US-6537975-B1 Aryl phosphate derivatives of d4T with para-bromo substitution on the aryl group show markedly increased potency as anti-HIV agents without undesirable levels of cytotoxic activity. In particular, these derivatives are potent PARKER HUGHES INSTITUTE 2003-03-25 US disclosed
US-6528495-B1 Para-bromo substitution on the aryl group shows markedly increased potency without undesirable levels of cytotoxic activity; inhibitors of HIV reverse transcriptase; phosphorus of the aryl phosphate is substituted with an amino acid PARKER HUGHES INSTITUTE 2003-03-04 US disclosed
US-6503890-B1 Reverse transcriptase inhibitors PARKER HUGHES INSTITUTE 2003-01-07 US disclosed
WO-2002038576-A1 ARYL PHOSPHATE DERIVATIVES OF d4T PARKER HUGHES INSTITUTE (US) 2002-05-16 WO disclosed
US-6350736-B1 phenyl methoxyalaninyl phosphate derivatives of 2',3'-didehydro-2',3'-dideoxythymidine with an electron-withdrawing moiety, such as p-bromo, for enhanced hydrolysis, have increased potency without high cytotoxic activity; inhibitors of HIV reverse transcriptase; thymidine-kinase (TK)-deficient cells PARKER HUGHES INSTITUTE 2002-02-26 US disclosed
EP-1090018-A1 ARYL PHOSPHATE DERIVATIVES OF d4T HAVING ANTI-HIV ACTIVITY Parker Hughes Institute (US) 2001-04-11 EP disclosed
EP-1068215-A1 AZT DERIVATIVES EXHIBITING SPERMICIDAL AND ANTI-VIRAL ACTIVITY Parker Hughes Institute (US) 2001-01-17 EP disclosed
US-6030957-A INHIBITING HIV(HUMAN IMMUNODEFICIENCY VIRUS) REVERSE TRANSCIPTASE IN CELLS INFECTED WITH HIV BY ADMINISTERING TO INFECTED CELLS ARYLPHOSPHATE DERIVATIVE OF 2',3'-DIDEHYDRO-2',3'-DIDEOXYTHYMIDINE WAYNE HUGHES INSTITUTE (US) 2000-02-29 US disclosed
WO-2000000501-A1 ARYL PHOSPHATE DERIVATIVES OF d4T HAVING ANTI-HIV ACTIVITY PARKER HUGHES INSTITUTE (US) 2000-01-06 WO disclosed
WO-1999048902-A1 AZT DERIVATIVES EXHIBITING SPERMICIDAL AND ANTI-VIRAL ACTIVITY PARKER HUGHES INSTITUTE (US) 1999-09-30 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-20070015733-A1 Aryl Phosphate Derivatives of d4T having Activity Against Resistant HIV Strains TYMP, PNP, APRT BTN3A1 3440/4885SRC 1564/4885ALDH1A1 1280/4885
US-20050277620-A1 Aryl phosphate derivatives of d4T PNP, MTAP, TYMP BTN3A1 4432/4885SRC 1803/4885ALDH1A1 2247/4885
US-20060293285-A1 Aryl Phosphate Derivatives of d4T PNP, TYMP, APRT BTN3A1 2932/4885SRC 1684/4885ALDH1A1 1008/4885

“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.