SCHEMBL849877

SCHEMBL849877

Cc1ncc(CP(=O)(O)O)c(N)n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
TDP1 Q9NUW8 1/20 0.45
PGK1 P00558 1/20 0.43
PGK2 P07205 1/20 0.43
TKT P29401 5/20 0.43
KDM4E B2RXH2 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 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
SCHEMBL5916304 0.83 LMNA (0.50) LMNATDP1TKTKDM4ENFKB1
Phosphoric Acid SCHEMBL851329 0.83 LMNA (0.53) LMNATDP1TKT
Phosphoric Acid SCHEMBL1533803 0.83 LMNA (0.53) LMNATDP1TKT
SCHEMBL13176800 0.82 PGK1 (0.46) LMNATDP1PGK1PGK2
SCHEMBL3371360 0.79 LMNA (0.61) LMNATDP1TKT
Pyrophosphoric Acid SCHEMBL851327 0.78 LMNA (0.51) LMNATDP1TKT
SCHEMBL12346332 0.77 LMNA (0.63) LMNATKTKDM4E
SCHEMBL479344 0.76 LMNA (0.61) LMNATKTKDM4E
SCHEMBL851328 0.74 LMNA (0.57) LMNATDP1TKT
Hydrochloric Acid SCHEMBL6520994 0.74 LMNA (0.59) LMNATKTKDM4E

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
US-20040006040-A1 Method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in an essential metabolic pathway and compounds and pharmaceutical compositions useful therefor PYRO PHARMACEUTICALS, INC. 2004-01-08 US claimed
EP-2463654-B1 Compositions and methods for modeling saccharomyces cerevisiae metabolism UNIV CALIFORNIA (US) 2020-06-03 EP disclosed
US-20150353941-A1 Genetically Modified Biological Cells O'KEEFE THERESA (US) 2015-12-10 US disclosed
US-8311790-B2 Reverse engineering genome-scale metabolic network reconstructions for organisms with incomplete genome annotation and developing constraints using proton flux states and numerically-determined sub-systems UNIVERSITY OF DELAWARE (US) 2012-11-13 US disclosed
EP-2463654-A1 Compositions and methods for modeling saccharomyces cerevisiae metabolism The Regents of The University of California (US) 2012-06-13 EP disclosed
US-8170852-B2 Data structures and methods for modeling Saccharomyces cerevisiae metabolism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-01 US disclosed
EP-2434421-A2 Compositions and methods for modeling saccharomyces cerevisiae metabolism The Regents of The University of California (US) 2012-03-28 EP disclosed
US-20100280803-A1 Compositions and Methods for Modeling Saccharomyces cerevisiae Metabolism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-11-04 US disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
US-7751981-B2 Articles of manufacture and methods for modeling Saccharomyces cerevisiae metabolism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-06 US disclosed
US-20090259451-A1 REVERSE ENGINEERING GENOME-SCALE METABOLIC NETWORK RECONSTRUCTIONS FOR ORGANISMS WITH INCOMPLETE GENOME ANNOTATION AND DEVELOPING CONSTRAINTS USING PROTON FLUX STATES AND NUMERICALLY-DETERMINED SUB-SYSTEMS UNIVERSITY OF DELAWARE (US) 2009-10-15 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 (1 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-20040006040-A1 Method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in an essential metabolic pathway and compounds and pharmaceutical compositions useful therefor CYP51A1, ME1, BPGM LMNA 3872/4885TDP1 3936/4885PGK1 158/4885

“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.