SCHEMBL460357

SCHEMBL460357

O=P(O)(O)COC=CCc1ncc2[nH]cnc2n1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CDK2 P24941 1/20 0.31

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
SCHEMBL8607904 0.81 ALDH1A1 (0.41) ALDH1A1KDM4ERXFP1CDK2
SCHEMBL3044447 0.78 ALDH1A1 (0.41) ALDH1A1KDM4ERXFP1CDK2
SCHEMBL3054589 0.77 ALDH1A1 (0.40) ALDH1A1KDM4ERXFP1CDK2
SCHEMBL8708640 0.75 ALDH1A1 (0.38) ALDH1A1KDM4ERXFP1CDK2
SCHEMBL11498403 0.73 ALDH1A1 (0.50) ALDH1A1KDM4ERXFP1CDK2
SCHEMBL7157730 0.72 ALDH1A1 (0.42) ALDH1A1KDM4ERXFP1CDK2
SCHEMBL9617743 0.72 ALDH1A1 (0.40) ALDH1A1KDM4ERXFP1CDK2
SCHEMBL1079075 0.70 ALDH1A1 (0.49) ALDH1A1KDM4ERXFP1CDK2
SCHEMBL10910405 0.69 ALDH1A1 (0.45) ALDH1A1KDM4ERXFP1CDK2
SCHEMBL4969622 0.68 KDM4E (0.38) ALDH1A1KDM4ERXFP1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2012799-B1 METABOLICALLY STABLE ALKOXYALKYL ESTERS OF ANTIVIRAL OR ANTIPROLIFERATIVE PHOSPHONATES, NUCLEOSIDE PHOSPHONATES AND NUCLEOSIDE PHOSPHATES CHIMERIX INC (US) 2016-08-24 EP disclosed
EP-1831235-B1 LUNG-TARGETED DRUGS UNIV CALIFORNIA (US) 2013-02-20 EP disclosed
US-8318700-B2 Lung-targeted drugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-27 US disclosed
US-20120122818-A1 LUNG-TARGETED DRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-17 US disclosed
US-8101745-B2 Conjugate cidofovir, idoxuridine, vidarabine, trifluridine, acyclovir, famciclovir penciclovir, valacyclovir, ganciclovir, antiviral, antimicrobial, cancer drug of interest to glycerol ethers or glycerol phosphate ethers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-24 US disclosed
US-7994143-B2 Metabolically stable alkoxyalkyl esters of antiviral or antiproliferative phosphonates, nucleoside phosphonates and nucleoside phosphates CHIMERIX, INC. (US) 2011-08-09 US disclosed
US-20100249056-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates CHIMERIX, INC. (US) 2010-09-30 US disclosed
US-7749983-B2 Metabolically stable alkoxyalkyl esters of antiviral or antiproliferative phosphonates, nucleoside phosphonates and nucleoside phosphates CHIMERIX, INC. (US) 2010-07-06 US disclosed
US-20090156545-A1 Substituted Phosphate Esters of Nucleoside Phosphonates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-06-18 US disclosed
US-20080221061-A1 Lung-Targeted Drugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-11 US disclosed
US-20080009462-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates CHIMERIX, INC. (US) 2008-01-10 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-20090156545-A1 Substituted Phosphate Esters of Nucleoside Phosphonates PNP, TYMP, ENPP1 ALDH1A1 2448/4885KDM4E 2697/4885RXFP1 4819/4885
US-20080221061-A1 Lung-Targeted Drugs DGKG, GK, PHOSPHO1 ALDH1A1 4007/4885KDM4E 1694/4885RXFP1 3459/4885
US-20120122818-A1 LUNG-TARGETED DRUGS DGKG, GK, PHOSPHO1 ALDH1A1 4007/4885KDM4E 1694/4885RXFP1 3459/4885
US-20100249056-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates PNP, TYMP, ENPP1 ALDH1A1 1729/4885KDM4E 2435/4885RXFP1 4817/4885
US-20080009462-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates PNP, TYMP, ENPP1 ALDH1A1 1729/4885KDM4E 2435/4885RXFP1 4817/4885

“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.