SCHEMBL459068

SCHEMBL459068

O=P(O)(O)OCc1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.39
ESR1 P03372 1/20 0.38
PTGS1 P23219 1/20 0.38
ACP1 P24666 1/20 0.38
PDE4A P27815 1/20 0.38
P2RX1 P51575 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
PNPO Q9NVS9 1/20 0.37
TSHR P16473 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
P2RX7 Q99572 1/20 0.34
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
GAA P10253 1/20 0.33
INPPL1 O15357 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL459237 0.84 TSHR (0.40) FDPSTSHR
SCHEMBL8905757 0.75 GAA (0.39) FDPSP2RX7GAACYP2C9CYP2C19
Pyrophosphoric Acid SCHEMBL459236 0.72 FDPS (0.42) FDPSP2RX7GAAINPPL1CYP2C9
SCHEMBL3365052 0.71 HDAC6 (0.50) TSHR
SCHEMBL3359808 0.71 ALDH1A1 (0.50) CYP2C19
SCHEMBL28941065 0.71 ESR1 (0.35) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL28941066 0.71 ESR1 (0.38) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL8910883 0.71 GAA (0.36) FDPSGAACYP2C9CYP2C19
SCHEMBL31429819 0.71 FDPS (0.37) FDPSP2RX7PGK1PGK2GAA
Phosphoric Acid SCHEMBL459067 0.70 FDPS (0.38) FDPSP2RX7PGK1PGK2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022411-A1 MICROBIAL CELL FACTORIES PRODUCING THIAMINE BIOSYNTIA APS (DK) 2026-01-22 US claimed
EP-4555076-A1 MICROBIAL CELL FACTORIES PRODUCING THIAMINE Biosyntia ApS (DK) 2025-05-21 EP claimed
CN-119731312-A Microbial cell factory for producing thiamine 拜奥信尼亚私营有限责任公司 2025-03-28 CN claimed
US-20240368659-A1 MICROBIAL CELL FACTORIES PRODUCING VITAMIN B COMPOUNDS BIOSYNTIA APS (DK) 2024-11-07 US claimed
EP-4370653-A2 MICROBIAL CELL FACTORIES PRODUCING VITAMIN B COMPOUNDS Biosyntia ApS (DK) 2024-05-22 EP claimed
CN-117897476-A Microbial cell factory for producing vitamin B compounds 拜奥信尼亚私营有限责任公司 2024-04-16 CN claimed
WO-2024013212-A1 MICROBIAL CELL FACTORIES PRODUCING THIAMINE BIOSYNTIA APS (DK) 2024-01-18 WO claimed
WO-2023285585-A2 MICROBIAL CELL FACTORIES PRODUCING VITAMIN B COMPOUNDS BIOSYNTIA APS (DK) 2023-01-19 WO claimed
WO-2026099311-A2 MICROBIAL CELL FACTORIES PRODUCING PROSTAGLANDINS RIVER STONE BIOTECH APS (DK) 2026-05-15 WO disclosed
US-20260022411-A1 MICROBIAL CELL FACTORIES PRODUCING THIAMINE BIOSYNTIA APS (DK) 2026-01-22 US disclosed
EP-4555076-A1 MICROBIAL CELL FACTORIES PRODUCING THIAMINE Biosyntia ApS (DK) 2025-05-21 EP disclosed
CN-119731312-A Microbial cell factory for producing thiamine 拜奥信尼亚私营有限责任公司 2025-03-28 CN disclosed
US-20250011804-A1 INTERACTORS AND TARGETS FOR IMPROVING PLANT AGRONOMIC CHARACTERISTICS PIONEER HI-BRED INTERNATIONAL, INC. (US) 2025-01-09 US disclosed
US-20240368659-A1 MICROBIAL CELL FACTORIES PRODUCING VITAMIN B COMPOUNDS BIOSYNTIA APS (DK) 2024-11-07 US disclosed
US-20110152215-A1 RIBOSWITCHES, METHODS FOR THEIR USE, AND COMPOSITIONS FOR USE WITH RIBOSWITCHES YALE UNIVERSITY 2011-06-23 US disclosed
US-20110150854-A1 RIBOSWITCHES, METHODS FOR THEIR USE, AND COMPOSITIONS FOR USE WITH RIBOSWITCHES YALE UNIVERSITY 2011-06-23 US disclosed
US-20100280803-A1 Compositions and Methods for Modeling Saccharomyces cerevisiae Metabolism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-11-04 US disclosed
US-7794931-B2 Riboswitches, methods for their use, and compositions for use with riboswitches YALE UNIVERSITY (US) 2010-09-14 US 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-20050053951-A1 Riboswitches, methods for their use, and compositions for use with riboswitches YALE UNIVERSITY 2005-03-10 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 (4 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-20050053951-A1 Riboswitches, methods for their use, and compositions for use with riboswitches NSUN3, RNGTT, SRRT FDPS 203/4885ESR1 1036/4885PTGS1 2730/4885
US-20110150854-A1 RIBOSWITCHES, METHODS FOR THEIR USE, AND COMPOSITIONS FOR USE WITH RIBOSWITCHES NSUN3, RNGTT, SRRT FDPS 199/4885ESR1 1006/4885PTGS1 2635/4885
US-20260022411-A1 MICROBIAL CELL FACTORIES PRODUCING THIAMINE AHCY, SHMT1, MTHFD1 FDPS 5/4885ESR1 4862/4885PTGS1 287/4885
US-20110152215-A1 RIBOSWITCHES, METHODS FOR THEIR USE, AND COMPOSITIONS FOR USE WITH RIBOSWITCHES NSUN3, RNGTT, SRRT FDPS 199/4885ESR1 1006/4885PTGS1 2635/4885

“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.